2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid

C14H14N2O4S — CID 59570177

IUPAC2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid
SMILESCc1csc(CN(C)C(=O)c2cccc(C(=O)O)c2O)n1
InChIInChI=1S/C14H14N2O4S/c1-8-7-21-11(15-8)6-16(2)13(18)9-4-3-5-10(12(9)17)14(19)20/h3-5,7,17H,6H2,1-2H3,(H,19,20)
InChIKeyNXMQBKIFNDCQLE-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.13
Rot. Bonds4

About 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid

2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid (PubChem CID 59570177) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid
PubChem CID59570177
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid
SMILESCc1csc(CN(C)C(=O)c2cccc(C(=O)O)c2O)n1
InChIInChI=1S/C14H14N2O4S/c1-8-7-21-11(15-8)6-16(2)13(18)9-4-3-5-10(12(9)17)14(19)20/h3-5,7,17H,6H2,1-2H3,(H,19,20)
InChIKeyNXMQBKIFNDCQLE-UHFFFAOYSA-N
XLogP2.13
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670318
2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86786064
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68608744
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420981
3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86783345
N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86971546
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 118785531
3-[[(2-benzyl-3-phenylpropanoyl)amino]carbamoyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 67514749
3-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzoic acid
CID 81497746
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid
CID 66731461

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid (CID 59570177) is 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid is Cc1csc(CN(C)C(=O)c2cccc(C(=O)O)c2O)n1.
What is the InChIKey of 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid?
The InChIKey is NXMQBKIFNDCQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-7-21-11(15-8)6-16(2)13(18)9-4-3-5-10(12(9)17)14(19)20/h3-5,7,17H,6H2,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid?
2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid is sourced from PubChem (CID 59570177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).