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

C11H9ClN2O2S — CID 102523467

IUPACN-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2nc(Cl)cs2)c1
InChIInChI=1S/C11H9ClN2O2S/c1-6-2-3-8(15)7(4-6)10(16)14-11-13-9(12)5-17-11/h2-5,15H,1H3,(H,13,14,16)
InChIKeyNSMMIWHAZICVQM-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.06
Rot. Bonds2

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

N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide (PubChem CID 102523467) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
PubChem CID102523467
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC NameN-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2nc(Cl)cs2)c1
InChIInChI=1S/C11H9ClN2O2S/c1-6-2-3-8(15)7(4-6)10(16)14-11-13-9(12)5-17-11/h2-5,15H,1H3,(H,13,14,16)
InChIKeyNSMMIWHAZICVQM-UHFFFAOYSA-N
XLogP3.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-chloro-1,3-thiazol-2-yl)carbamoyl]-4-methylbenzoate
CID 102523468
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996
2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
N-(2-chloro-4-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 114053486
2-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-methylbenzamide
CID 81112546
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
5-chloro-2-hydroxy-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046812
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106860455

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide (CID 102523467) is N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)Nc2nc(Cl)cs2)c1.
What is the InChIKey of N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide?
The InChIKey is NSMMIWHAZICVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-6-2-3-8(15)7(4-6)10(16)14-11-13-9(12)5-17-11/h2-5,15H,1H3,(H,13,14,16).
What are the key properties of N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide?
N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide has a molecular weight of 268.72 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 102523467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).