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

C12H13N3OS — CID 30134205

IUPAC4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccccc2)sc1C(N)=O
InChIInChI=1S/C12H13N3OS/c1-8-10(11(13)16)17-12(14-8)15(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,13,16)
InChIKeyGOONVBWKXINPFN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.32
Rot. Bonds3

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

4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 30134205) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
PubChem CID30134205
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccccc2)sc1C(N)=O
InChIInChI=1S/C12H13N3OS/c1-8-10(11(13)16)17-12(14-8)15(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,13,16)
InChIKeyGOONVBWKXINPFN-UHFFFAOYSA-N
XLogP2.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765130
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 134113848
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
CID 30141824
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
N-(2,3-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134319
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134315

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (CID 30134205) is 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is Cc1nc(N(C)c2ccccc2)sc1C(N)=O.
What is the InChIKey of 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is GOONVBWKXINPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-10(11(13)16)17-12(14-8)15(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,13,16).
What are the key properties of 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30134205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).