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

C20H21N3OS — CID 30134294

IUPACN-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1C
InChIInChI=1S/C20H21N3OS/c1-13-10-11-16(12-14(13)2)22-19(24)18-15(3)21-20(25-18)23(4)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,22,24)
InChIKeyAXDJBZDJMKTPHY-UHFFFAOYSA-N
MW351.48 g/mol
LogP5.09
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 30134294) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
PubChem CID30134294
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1C
InChIInChI=1S/C20H21N3OS/c1-13-10-11-16(12-14(13)2)22-19(24)18-15(3)21-20(25-18)23(4)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,22,24)
InChIKeyAXDJBZDJMKTPHY-UHFFFAOYSA-N
XLogP5.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134315
4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30141715
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
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
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
CID 30141824
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (CID 30134294) is N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is AXDJBZDJMKTPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-13-10-11-16(12-14(13)2)22-19(24)18-15(3)21-20(25-18)23(4)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30134294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).