N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide

C12H12N2O2S — CID 110860261

IUPACN-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cncs1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-10(16-2)9(5-8)14-12(15)11-6-13-7-17-11/h3-7H,1-2H3,(H,14,15)
InChIKeyGCDSCKWCNWPWHD-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.71
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide

N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 110860261) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID110860261
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cncs1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-10(16-2)9(5-8)14-12(15)11-6-13-7-17-11/h3-7H,1-2H3,(H,14,15)
InChIKeyGCDSCKWCNWPWHD-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195
3-hydroxy-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 81442907
5-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104642218
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
4-hydrazinyl-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240121
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938
1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621
5-acetamido-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 110699937
2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
CID 113237216

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide (CID 110860261) is N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide is COc1ccc(C)cc1NC(=O)c1cncs1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GCDSCKWCNWPWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-3-4-10(16-2)9(5-8)14-12(15)11-6-13-7-17-11/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide?
N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110860261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).