2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide

C14H12ClFN4O3S — CID 78884701

IUPAC2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H12ClFN4O3S/c15-9-5-7(16)1-2-8(9)13(23)18-4-3-11(21)20-14-19-6-10(24-14)12(17)22/h1-2,5-6H,3-4H2,(H2,17,22)(H,18,23)(H,19,20,21)
InChIKeyBVOBUTYMNCZQMY-UHFFFAOYSA-N
MW370.79 g/mol
LogP1.79
Rot. Bonds6

About 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide

2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 78884701) has the molecular formula C14H12ClFN4O3S and a molecular weight of 370.79 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide
PubChem CID78884701
Molecular FormulaC14H12ClFN4O3S
Molecular Weight370.79 g/mol
Exact Mass370.03
IUPAC Name2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H12ClFN4O3S/c15-9-5-7(16)1-2-8(9)13(23)18-4-3-11(21)20-14-19-6-10(24-14)12(17)22/h1-2,5-6H,3-4H2,(H2,17,22)(H,18,23)(H,19,20,21)
InChIKeyBVOBUTYMNCZQMY-UHFFFAOYSA-N
XLogP1.79
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide
CID 43078049
2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55759108
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide
CID 78828524
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
2,4-difluoro-N-[3-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 55818493
2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide
CID 55758734
N-[4-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 42353957
2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 49353575
N-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18229970
2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide
CID 55794760

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide (CID 78884701) is 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)s1.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is BVOBUTYMNCZQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O3S/c15-9-5-7(16)1-2-8(9)13(23)18-4-3-11(21)20-14-19-6-10(24-14)12(17)22/h1-2,5-6H,3-4H2,(H2,17,22)(H,18,23)(H,19,20,21).
What are the key properties of 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide?
2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 370.79 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78884701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).