2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide

C17H15N3O2S — CID 5276246

IUPAC2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide
SMILESCc1ccccc1Nc1ncc(-c2ccc(O)c(C(N)=O)c2)s1
InChIInChI=1S/C17H15N3O2S/c1-10-4-2-3-5-13(10)20-17-19-9-15(23-17)11-6-7-14(21)12(8-11)16(18)22/h2-9,21H,1H3,(H2,18,22)(H,19,20)
InChIKeyIRLLQHPWJJAGOM-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.67
Rot. Bonds4

About 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide

2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide (PubChem CID 5276246) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide
PubChem CID5276246
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide
SMILESCc1ccccc1Nc1ncc(-c2ccc(O)c(C(N)=O)c2)s1
InChIInChI=1S/C17H15N3O2S/c1-10-4-2-3-5-13(10)20-17-19-9-15(23-17)11-6-7-14(21)12(8-11)16(18)22/h2-9,21H,1H3,(H2,18,22)(H,19,20)
InChIKeyIRLLQHPWJJAGOM-UHFFFAOYSA-N
XLogP3.67
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
CID 5276252
[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 87869649
4-(2-methylanilino)pyrimidine-5-carboxamide
CID 175855018
4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 87619876
4-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 136747579
2-amino-3-(2-methylanilino)benzamide
CID 113332516
5-(4-aminophenyl)-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 5270668
6-amino-N-methyl-4-(2-methylanilino)pyridine-3-carboxamide
CID 122579392
2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
CID 155566832
3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione
CID 3511764
bis[2-[2-(2-methylphenyl)-3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 161166254
tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate
CID 87282091

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide (CID 5276246) is 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide is Cc1ccccc1Nc1ncc(-c2ccc(O)c(C(N)=O)c2)s1.
What is the InChIKey of 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide?
The InChIKey is IRLLQHPWJJAGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-4-2-3-5-13(10)20-17-19-9-15(23-17)11-6-7-14(21)12(8-11)16(18)22/h2-9,21H,1H3,(H2,18,22)(H,19,20).
What are the key properties of 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide?
2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide has a molecular weight of 325.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 5276246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).