2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C19H16F3N3OS — CID 10408130

IUPAC2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1Nc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C19H16F3N3OS/c1-11-4-3-5-12(2)16(11)25-18-24-15(10-27-18)17(26)23-14-8-6-13(7-9-14)19(20,21)22/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKeyUELMYDPRRJXETO-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.77
Rot. Bonds4

About 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 10408130) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID10408130
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1Nc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C19H16F3N3OS/c1-11-4-3-5-12(2)16(11)25-18-24-15(10-27-18)17(26)23-14-8-6-13(7-9-14)19(20,21)22/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKeyUELMYDPRRJXETO-UHFFFAOYSA-N
XLogP5.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 10408130) is 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1cccc(C)c1Nc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UELMYDPRRJXETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-11-4-3-5-12(2)16(11)25-18-24-15(10-27-18)17(26)23-14-8-6-13(7-9-14)19(20,21)22/h3-10H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10408130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).