Home > Compound List > Compound details
MFCD06200937 molecular structure
click picture or here to close

2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carbohydrazide

ChemBase ID: 40706
Molecular Formular: C10H9ClN4OS
Molecular Mass: 268.72266
Monoisotopic Mass: 268.01855961
SMILES and InChIs

SMILES:
c1(c(sc(n1)N)c1ccc(cc1)Cl)C(=O)NN
Canonical SMILES:
NNC(=O)c1nc(sc1c1ccc(cc1)Cl)N
InChI:
InChI=1S/C10H9ClN4OS/c11-6-3-1-5(2-4-6)8-7(9(16)15-13)14-10(12)17-8/h1-4H,13H2,(H2,12,14)(H,15,16)
InChIKey:
FZWVZIWQCPTUQD-UHFFFAOYSA-N

Cite this record

CBID:40706 http://www.chembase.cn/molecule-40706.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carbohydrazide
IUPAC Traditional name
2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carbohydrazide
Synonyms
2-Amino-5-(4-chlorophenyl)-1,3-thiazole-4-carbohydrazide
MDL Number
MFCD06200937
PubChem SID
162045469
PubChem CID
2763595

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2763595 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.922026  H Acceptors
H Donor LogD (pH = 5.5) 1.6747426 
LogD (pH = 7.4) 1.675346  Log P 1.6753536 
Molar Refractivity 68.3557 cm3 Polarizability 26.36461 Å3
Polar Surface Area 94.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
257 °C expand Show data source
257°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle