N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C12H11ClN2O2S — CID 56791819

IUPACN-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(Cl)cc(NC(=O)c2scnc2C)c1O
InChIInChI=1S/C12H11ClN2O2S/c1-6-3-8(13)4-9(10(6)16)15-12(17)11-7(2)14-5-18-11/h3-5,16H,1-2H3,(H,15,17)
InChIKeyCKTFXJDIEKPHTQ-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.37
Rot. Bonds2

About N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56791819) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID56791819
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(Cl)cc(NC(=O)c2scnc2C)c1O
InChIInChI=1S/C12H11ClN2O2S/c1-6-3-8(13)4-9(10(6)16)15-12(17)11-7(2)14-5-18-11/h3-5,16H,1-2H3,(H,15,17)
InChIKeyCKTFXJDIEKPHTQ-UHFFFAOYSA-N
XLogP3.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47208307
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 113456224
N-(3-amino-4-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63062084
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99832381
N-(3-chloro-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103892877
N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47475999
4-methyl-N-(4-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47265636
N-(5-bromo-6-chloro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103816486

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 56791819) is N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(Cl)cc(NC(=O)c2scnc2C)c1O.
What is the InChIKey of N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CKTFXJDIEKPHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-6-3-8(13)4-9(10(6)16)15-12(17)11-7(2)14-5-18-11/h3-5,16H,1-2H3,(H,15,17).
What are the key properties of N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56791819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).