4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

C12H12N2O2S — CID 113341365

IUPAC4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCc1cc(O)ccc1C(=O)NCc1nccs1
InChIInChI=1S/C12H12N2O2S/c1-8-6-9(15)2-3-10(8)12(16)14-7-11-13-4-5-17-11/h2-6,15H,7H2,1H3,(H,14,16)
InChIKeyDXNVDMFWSJOICM-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.09
Rot. Bonds3

About 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 113341365) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID113341365
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCc1cc(O)ccc1C(=O)NCc1nccs1
InChIInChI=1S/C12H12N2O2S/c1-8-6-9(15)2-3-10(8)12(16)14-7-11-13-4-5-17-11/h2-6,15H,7H2,1H3,(H,14,16)
InChIKeyDXNVDMFWSJOICM-UHFFFAOYSA-N
XLogP2.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103616957
4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 103865536
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719
2-(4-hydroxyphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110463122
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
6-methyl-4-(methylamino)-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 81240074
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 113341365) is 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is Cc1cc(O)ccc1C(=O)NCc1nccs1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is DXNVDMFWSJOICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-6-9(15)2-3-10(8)12(16)14-7-11-13-4-5-17-11/h2-6,15H,7H2,1H3,(H,14,16).
What are the key properties of 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 248.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 113341365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).