5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide

C17H14ClN3O2S — CID 5276252

IUPAC5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
SMILESCc1ccc(Nc2ncc(-c3ccc(O)c(C(N)=O)c3)s2)cc1Cl
InChIInChI=1S/C17H14ClN3O2S/c1-9-2-4-11(7-13(9)18)21-17-20-8-15(24-17)10-3-5-14(22)12(6-10)16(19)23/h2-8,22H,1H3,(H2,19,23)(H,20,21)
InChIKeyVXYPDQJCIVBSBD-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.32
Rot. Bonds4

About 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide

5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide (PubChem CID 5276252) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
PubChem CID5276252
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
SMILESCc1ccc(Nc2ncc(-c3ccc(O)c(C(N)=O)c3)s2)cc1Cl
InChIInChI=1S/C17H14ClN3O2S/c1-9-2-4-11(7-13(9)18)21-17-20-8-15(24-17)10-3-5-14(22)12(6-10)16(19)23/h2-8,22H,1H3,(H2,19,23)(H,20,21)
InChIKeyVXYPDQJCIVBSBD-UHFFFAOYSA-N
XLogP4.32
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide
CID 5276246
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
(2R)-2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 41137951
2-[2-(3-chloro-4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1001993
2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
CID 24519423
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
2-(3-chloro-4-methylphenyl)pyrimidine-5-carboxylic acid
CID 24903647
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113033611
3-[2-(3-chloro-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94777032
2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246985

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide (CID 5276252) is 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide is Cc1ccc(Nc2ncc(-c3ccc(O)c(C(N)=O)c3)s2)cc1Cl.
What is the InChIKey of 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide?
The InChIKey is VXYPDQJCIVBSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-9-2-4-11(7-13(9)18)21-17-20-8-15(24-17)10-3-5-14(22)12(6-10)16(19)23/h2-8,22H,1H3,(H2,19,23)(H,20,21).
What are the key properties of 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide?
5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide has a molecular weight of 359.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide is sourced from PubChem (CID 5276252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).