3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C13H14N2O2S — CID 60709417

IUPAC3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2ccc(C)c(O)c2)n1
InChIInChI=1S/C13H14N2O2S/c1-8-3-4-10(5-11(8)16)13(17)14-6-12-15-9(2)7-18-12/h3-5,7,16H,6H2,1-2H3,(H,14,17)
InChIKeyHRDIMWPJVMVIOK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.40
Rot. Bonds3

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

3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 60709417) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID60709417
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2ccc(C)c(O)c2)n1
InChIInChI=1S/C13H14N2O2S/c1-8-3-4-10(5-11(8)16)13(17)14-6-12-15-9(2)7-18-12/h3-5,7,16H,6H2,1-2H3,(H,14,17)
InChIKeyHRDIMWPJVMVIOK-UHFFFAOYSA-N
XLogP2.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-[2-[(3-hydroxy-4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374641
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51291464
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940
5-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 63858903
4-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112705731
3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 91798002
2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-4-carboxamide
CID 62247850
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 47048130
4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 51315975
3-[3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 76907244

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 60709417) is 3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CNC(=O)c2ccc(C)c(O)c2)n1.
What is the InChIKey of 3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is HRDIMWPJVMVIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-3-4-10(5-11(8)16)13(17)14-6-12-15-9(2)7-18-12/h3-5,7,16H,6H2,1-2H3,(H,14,17).
What are the key properties of 3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 262.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 60709417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).