N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide

C16H12ClN3O3S — CID 1468179

IUPACN-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O3S/c1-9-13(15(22)19-11-5-2-4-10(17)8-11)24-16(18-9)20-14(21)12-6-3-7-23-12/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyWFICPXSSEPVFSZ-UHFFFAOYSA-N
MW361.81 g/mol
LogP4.20
Rot. Bonds4

About N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide

N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 1468179) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID1468179
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC NameN-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O3S/c1-9-13(15(22)19-11-5-2-4-10(17)8-11)24-16(18-9)20-14(21)12-6-3-7-23-12/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyWFICPXSSEPVFSZ-UHFFFAOYSA-N
XLogP4.20
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
2-[(4-bromobenzoyl)amino]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468187
N-(3-chlorophenyl)-2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468197
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897465
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 16764509
N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897513
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897620
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515250
2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50751095
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2159294

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide (CID 1468179) is N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WFICPXSSEPVFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c1-9-13(15(22)19-11-5-2-4-10(17)8-11)24-16(18-9)20-14(21)12-6-3-7-23-12/h2-8H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 361.81 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).