2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide

C18H15N3O2S — CID 16914921

IUPAC2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCc2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C18H15N3O2S/c22-16(14-9-5-2-6-10-14)21-18-20-15(12-24-18)17(23)19-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,23)(H,20,21,22)
InChIKeyPUAMNQYOKZWIKH-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.33
Rot. Bonds5

About 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide

2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide (PubChem CID 16914921) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
PubChem CID16914921
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCc2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C18H15N3O2S/c22-16(14-9-5-2-6-10-14)21-18-20-15(12-24-18)17(23)19-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,23)(H,20,21,22)
InChIKeyPUAMNQYOKZWIKH-UHFFFAOYSA-N
XLogP3.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
4-[(2-benzamido-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 39182218
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
2-[(4-chlorobenzoyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915082
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide (CID 16914921) is 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)NCc2ccccc2)cs1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide?
The InChIKey is PUAMNQYOKZWIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-16(14-9-5-2-6-10-14)21-18-20-15(12-24-18)17(23)19-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,23)(H,20,21,22).
What are the key properties of 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide?
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16914921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).