5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C13H13ClN2O2S — CID 18129996

IUPAC5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cc(Cl)ccc2O)n1
InChIInChI=1S/C13H13ClN2O2S/c1-7(2)10-6-19-13(15-10)16-12(18)9-5-8(14)3-4-11(9)17/h3-7,17H,1-2H3,(H,15,16,18)
InChIKeyJJEAQSZYQJEENW-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.88
Rot. Bonds3

About 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 18129996) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID18129996
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cc(Cl)ccc2O)n1
InChIInChI=1S/C13H13ClN2O2S/c1-7(2)10-6-19-13(15-10)16-12(18)9-5-8(14)3-4-11(9)17/h3-7,17H,1-2H3,(H,15,16,18)
InChIKeyJJEAQSZYQJEENW-UHFFFAOYSA-N
XLogP3.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
5-chloro-2-hydroxy-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046812
N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 102523467
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 30715660
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 103604372
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 155988765
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide
CID 18127839
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 18129996) is 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1csc(NC(=O)c2cc(Cl)ccc2O)n1.
What is the InChIKey of 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JJEAQSZYQJEENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-7(2)10-6-19-13(15-10)16-12(18)9-5-8(14)3-4-11(9)17/h3-7,17H,1-2H3,(H,15,16,18).
What are the key properties of 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 296.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18129996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).