4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide

C12H12N2OS — CID 19375996

IUPAC4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1ccc(-c2csc(C(N)=O)n2)cc1C
InChIInChI=1S/C12H12N2OS/c1-7-3-4-9(5-8(7)2)10-6-16-12(14-10)11(13)15/h3-6H,1-2H3,(H2,13,15)
InChIKeyKHHVIBQWYXORIY-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.53
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide

4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 19375996) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID19375996
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1ccc(-c2csc(C(N)=O)n2)cc1C
InChIInChI=1S/C12H12N2OS/c1-7-3-4-9(5-8(7)2)10-6-16-12(14-10)11(13)15/h3-6H,1-2H3,(H2,13,15)
InChIKeyKHHVIBQWYXORIY-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

4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 19375948
1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 63379443
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327
N-[4-[[2-cyano-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]phenyl]acetamide
CID 4209311
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
(Z)-3-(4-bromophenyl)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18558351
(E)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 5345054

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide (CID 19375996) is 4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide is Cc1ccc(-c2csc(C(N)=O)n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is KHHVIBQWYXORIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-3-4-9(5-8(7)2)10-6-16-12(14-10)11(13)15/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide?
4-(3,4-dimethylphenyl)-1,3-thiazole-2-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-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 19375996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).