4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C19H16F3N3OS — CID 30134336

IUPAC4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3OS/c1-12-16(27-18(23-12)25(2)13-8-4-3-5-9-13)17(26)24-15-11-7-6-10-14(15)19(20,21)22/h3-11H,1-2H3,(H,24,26)
InChIKeyLSAUJWXSARZNTI-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.49
Rot. Bonds4

About 4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 30134336) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID30134336
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3OS/c1-12-16(27-18(23-12)25(2)13-8-4-3-5-9-13)17(26)24-15-11-7-6-10-14(15)19(20,21)22/h3-11H,1-2H3,(H,24,26)
InChIKeyLSAUJWXSARZNTI-UHFFFAOYSA-N
XLogP5.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134319
N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
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
5-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109197685
4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30141715
2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176395
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 30134336) is 4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LSAUJWXSARZNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-12-16(27-18(23-12)25(2)13-8-4-3-5-9-13)17(26)24-15-11-7-6-10-14(15)19(20,21)22/h3-11H,1-2H3,(H,24,26).
What are the key properties of 4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 5.49, 4 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)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30134336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).