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461033-41-0 molecular structure
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4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-amine

ChemBase ID: 311807
Molecular Formular: C14H18N2OS
Molecular Mass: 262.37052
Monoisotopic Mass: 262.11398421
SMILES and InChIs

SMILES:
n1c(c(sc1N)CCC)c1ccc(cc1)OCC
Canonical SMILES:
CCCc1sc(nc1c1ccc(cc1)OCC)N
InChI:
InChI=1S/C14H18N2OS/c1-3-5-12-13(16-14(15)18-12)10-6-8-11(9-7-10)17-4-2/h6-9H,3-5H2,1-2H3,(H2,15,16)
InChIKey:
RDYHRHLOWLYZPQ-UHFFFAOYSA-N

Cite this record

CBID:311807 http://www.chembase.cn/molecule-311807.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-amine
IUPAC Traditional name
4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-amine
Synonyms
4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-amine
CAS Number
461033-41-0
MDL Number
MFCD03063708

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) 4.2111993  LogD (pH = 7.4) 4.2539973 
Log P 4.2545733  Molar Refractivity 75.5974 cm3
Polarizability 29.984785 Å3 Polar Surface Area 48.14 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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