4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

C12H13N3O2S — CID 106383401

IUPAC4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESCNc1ccc(C(=O)NCc2csc(=O)[nH]2)cc1
InChIInChI=1S/C12H13N3O2S/c1-13-9-4-2-8(3-5-9)11(16)14-6-10-7-18-12(17)15-10/h2-5,7,13H,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyZLNCVKOFIXYVGI-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.41
Rot. Bonds4

About 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 106383401) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID106383401
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESCNc1ccc(C(=O)NCc2csc(=O)[nH]2)cc1
InChIInChI=1S/C12H13N3O2S/c1-13-9-4-2-8(3-5-9)11(16)14-6-10-7-18-12(17)15-10/h2-5,7,13H,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyZLNCVKOFIXYVGI-UHFFFAOYSA-N
XLogP1.41
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103775053
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
3-chloro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862828
3-hydroxy-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862858
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106383121
5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383388
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
3-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383203
3-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106381453
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106381237
4-(3-aminoprop-1-ynyl)-3-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383210

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (CID 106383401) is 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is CNc1ccc(C(=O)NCc2csc(=O)[nH]2)cc1.
What is the InChIKey of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is ZLNCVKOFIXYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-13-9-4-2-8(3-5-9)11(16)14-6-10-7-18-12(17)15-10/h2-5,7,13H,6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 263.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 106383401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).