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1209952-47-5 molecular structure
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[2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine

ChemBase ID: 307148
Molecular Formular: C8H13N3S
Molecular Mass: 183.27392
Monoisotopic Mass: 183.08301843
SMILES and InChIs

SMILES:
c1(nc(cs1)CN)N1CCCC1
Canonical SMILES:
NCc1csc(n1)N1CCCC1
InChI:
InChI=1S/C8H13N3S/c9-5-7-6-12-8(10-7)11-3-1-2-4-11/h6H,1-5,9H2
InChIKey:
KIVGJSNEKIDRPI-UHFFFAOYSA-N

Cite this record

CBID:307148 http://www.chembase.cn/molecule-307148.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
IUPAC Traditional name
[2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
Synonyms
1-[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methanamine
CAS Number
1209952-47-5
MDL Number
MFCD13188551

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5777564  LogD (pH = 7.4) 0.068704896 
Log P 1.0373702  Molar Refractivity 50.6605 cm3
Polarizability 19.24637 Å3 Polar Surface Area 42.15 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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