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

C12H12N2OS — CID 116887735

IUPAC4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(-c2nc(C)c(C(N)=O)s2)c1
InChIInChI=1S/C12H12N2OS/c1-7-4-3-5-9(6-7)12-14-8(2)10(16-12)11(13)15/h3-6H,1-2H3,(H2,13,15)
InChIKeyMFMJOBSZXRIROQ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.53
Rot. Bonds2

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

4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116887735) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID116887735
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(-c2nc(C)c(C(N)=O)s2)c1
InChIInChI=1S/C12H12N2OS/c1-7-4-3-5-9(6-7)12-14-8(2)10(16-12)11(13)15/h3-6H,1-2H3,(H2,13,15)
InChIKeyMFMJOBSZXRIROQ-UHFFFAOYSA-N
XLogP2.53
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-oxoacetaldehyde
CID 12748654
5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 154810072
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82425850
[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine
CID 116887834
methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 79073840
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
4-ethyl-2-(3-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82428610
4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 12813043
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887743
4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970687
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 116887735) is 4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(-c2nc(C)c(C(N)=O)s2)c1.
What is the InChIKey of 4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MFMJOBSZXRIROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-4-3-5-9(6-7)12-14-8(2)10(16-12)11(13)15/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116887735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).