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

C16H12ClN3O2S — CID 31153574

IUPAC3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(O)c(Cl)c2)sc1-c1ccccn1
InChIInChI=1S/C16H12ClN3O2S/c1-9-14(12-4-2-3-7-18-12)23-16(19-9)20-15(22)10-5-6-13(21)11(17)8-10/h2-8,21H,1H3,(H,19,20,22)
InChIKeyXAWCBUAKPAKZAX-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.12
Rot. Bonds3

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

3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 31153574) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID31153574
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(O)c(Cl)c2)sc1-c1ccccn1
InChIInChI=1S/C16H12ClN3O2S/c1-9-14(12-4-2-3-7-18-12)23-16(19-9)20-15(22)10-5-6-13(21)11(17)8-10/h2-8,21H,1H3,(H,19,20,22)
InChIKeyXAWCBUAKPAKZAX-UHFFFAOYSA-N
XLogP4.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 31153574) is 3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is Cc1nc(NC(=O)c2ccc(O)c(Cl)c2)sc1-c1ccccn1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XAWCBUAKPAKZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c1-9-14(12-4-2-3-7-18-12)23-16(19-9)20-15(22)10-5-6-13(21)11(17)8-10/h2-8,21H,1H3,(H,19,20,22).
What are the key properties of 3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 345.81 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 31153574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).