2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide

C17H13N3O3S — CID 58121091

IUPAC2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)NO)s1)c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-15(12-9-5-2-6-10-12)19-17-18-13(11-7-3-1-4-8-11)14(24-17)16(22)20-23/h1-10,23H,(H,20,22)(H,18,19,21)
InChIKeyMRKGHDFNCRXWOF-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.18
Rot. Bonds4

About 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide

2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 58121091) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID58121091
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)NO)s1)c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-15(12-9-5-2-6-10-12)19-17-18-13(11-7-3-1-4-8-11)14(24-17)16(22)20-23/h1-10,23H,(H,20,22)(H,18,19,21)
InChIKeyMRKGHDFNCRXWOF-UHFFFAOYSA-N
XLogP3.18
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-hydroxy-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 58121042
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41044546
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
CID 4682991
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide (CID 58121091) is 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1nc(-c2ccccc2)c(C(=O)NO)s1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is MRKGHDFNCRXWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-15(12-9-5-2-6-10-12)19-17-18-13(11-7-3-1-4-8-11)14(24-17)16(22)20-23/h1-10,23H,(H,20,22)(H,18,19,21).
What are the key properties of 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide?
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58121091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).