N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C14H15N3O2S — CID 63048189

IUPACN-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2cscn2)c1
InChIInChI=1S/C14H15N3O2S/c1-2-6-15-13(18)10-4-3-5-11(7-10)17-14(19)12-8-20-9-16-12/h3-5,7-9H,2,6H2,1H3,(H,15,18)(H,17,19)
InChIKeyOSTHGBGSJHPUBW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.54
Rot. Bonds5

About N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 63048189) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID63048189
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2cscn2)c1
InChIInChI=1S/C14H15N3O2S/c1-2-6-15-13(18)10-4-3-5-11(7-10)17-14(19)12-8-20-9-16-12/h3-5,7-9H,2,6H2,1H3,(H,15,18)(H,17,19)
InChIKeyOSTHGBGSJHPUBW-UHFFFAOYSA-N
XLogP2.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
2-(4-bromothiophen-2-yl)-N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60549928
N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63050106
2-chloro-N-[3-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 106685876
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371

Frequently Asked Questions

What is the IUPAC name of N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 63048189) is N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CCCNC(=O)c1cccc(NC(=O)c2cscn2)c1.
What is the InChIKey of N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OSTHGBGSJHPUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-6-15-13(18)10-4-3-5-11(7-10)17-14(19)12-8-20-9-16-12/h3-5,7-9H,2,6H2,1H3,(H,15,18)(H,17,19).
What are the key properties of N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).