2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C12H12N2O2S — CID 3068072

IUPAC2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc(C)c(C(N)=O)s1
InChIInChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H2,13,15)
InChIKeyODXUWYRAHXUBLC-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.23
Rot. Bonds3

About 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 3068072) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID3068072
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc(C)c(C(N)=O)s1
InChIInChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H2,13,15)
InChIKeyODXUWYRAHXUBLC-UHFFFAOYSA-N
XLogP2.23
TPSA65.21 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, ethyl ester
CID 9884549
Ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135509402
5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-
CID 3068075
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic Acid
CID 4962843
2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic Acid
CID 4980400
2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 850702
(E)-3-(4-methoxyphenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5707201
N-[(E)-(2-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 6899401
(5Z)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137649962
2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 2438786
2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 2444065
Pulicatin E
CID 136020621

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 3068072) is 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccccc1-c1nc(C)c(C(N)=O)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ODXUWYRAHXUBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3068072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).