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

C19H23F3N2OS — CID 58812876

IUPACN-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2C(C)CC(C)(C)C)s1
InChIInChI=1S/C19H23F3N2OS/c1-11(10-18(3,4)5)13-8-6-7-9-14(13)24-17(25)15-16(19(20,21)22)23-12(2)26-15/h6-9,11H,10H2,1-5H3,(H,24,25)
InChIKeySEUWLZJJPKBGFB-UHFFFAOYSA-N
MW384.47 g/mol
LogP6.26
Rot. Bonds4

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

N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58812876) has the molecular formula C19H23F3N2OS and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID58812876
Molecular FormulaC19H23F3N2OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC NameN-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2C(C)CC(C)(C)C)s1
InChIInChI=1S/C19H23F3N2OS/c1-11(10-18(3,4)5)13-8-6-7-9-14(13)24-17(25)15-16(19(20,21)22)23-12(2)26-15/h6-9,11H,10H2,1-5H3,(H,24,25)
InChIKeySEUWLZJJPKBGFB-UHFFFAOYSA-N
XLogP6.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 58812876) is N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2C(C)CC(C)(C)C)s1.
What is the InChIKey of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SEUWLZJJPKBGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2OS/c1-11(10-18(3,4)5)13-8-6-7-9-14(13)24-17(25)15-16(19(20,21)22)23-12(2)26-15/h6-9,11H,10H2,1-5H3,(H,24,25).
What are the key properties of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58812876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).