2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C16H12ClN3O3S — CID 16915083

IUPAC2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCc2ccco2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O3S/c17-11-5-3-10(4-6-11)14(21)20-16-19-13(9-24-16)15(22)18-8-12-2-1-7-23-12/h1-7,9H,8H2,(H,18,22)(H,19,20,21)
InChIKeyBGTCPNYLQPEHPT-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.57
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 16915083) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID16915083
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCc2ccco2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O3S/c17-11-5-3-10(4-6-11)14(21)20-16-19-13(9-24-16)15(22)18-8-12-2-1-7-23-12/h1-7,9H,8H2,(H,18,22)(H,19,20,21)
InChIKeyBGTCPNYLQPEHPT-UHFFFAOYSA-N
XLogP3.57
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46113981
N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555759
2-[(4-chlorobenzoyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915082
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16915037
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 16915177
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 16915083) is 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)NCc2ccco2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BGTCPNYLQPEHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c17-11-5-3-10(4-6-11)14(21)20-16-19-13(9-24-16)15(22)18-8-12-2-1-7-23-12/h1-7,9H,8H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 361.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).