N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide

C14H16ClN3OS — CID 119496862

IUPACN-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)CCNC(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3OS/c1-9(16)5-6-17-13(19)12-8-20-14(18-12)10-3-2-4-11(15)7-10/h2-4,7-9H,5-6,16H2,1H3,(H,17,19)
InChIKeySEDPBYJZOAOTKZ-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.93
Rot. Bonds5

About N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide

N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119496862) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID119496862
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)CCNC(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3OS/c1-9(16)5-6-17-13(19)12-8-20-14(18-12)10-3-2-4-11(15)7-10/h2-4,7-9H,5-6,16H2,1H3,(H,17,19)
InChIKeySEDPBYJZOAOTKZ-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 119499639
N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119496538
6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119220176
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
3-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207587
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
N-(3-hydroxybutyl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 111433598
2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55716938
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385
N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 119498471
2-[butan-2-yl-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119954742

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 119496862) is N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide is CC(N)CCNC(=O)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SEDPBYJZOAOTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-9(16)5-6-17-13(19)12-8-20-14(18-12)10-3-2-4-11(15)7-10/h2-4,7-9H,5-6,16H2,1H3,(H,17,19).
What are the key properties of N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119496862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).