4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide

C19H24F2N2OS2 — CID 59559831

IUPAC4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCCC(C)SC(C)c1ccccc1NC(=O)c1sc(C)nc1C(F)F
InChIInChI=1S/C19H24F2N2OS2/c1-5-8-11(2)25-12(3)14-9-6-7-10-15(14)23-19(24)17-16(18(20)21)22-13(4)26-17/h6-7,9-12,18H,5,8H2,1-4H3,(H,23,24)
InChIKeyYIVVUYLBGQJOMZ-UHFFFAOYSA-N
MW398.54 g/mol
LogP6.62
Rot. Bonds8

About 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide

4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 59559831) has the molecular formula C19H24F2N2OS2 and a molecular weight of 398.54 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID59559831
Molecular FormulaC19H24F2N2OS2
Molecular Weight398.54 g/mol
Exact Mass398.13
IUPAC Name4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCCC(C)SC(C)c1ccccc1NC(=O)c1sc(C)nc1C(F)F
InChIInChI=1S/C19H24F2N2OS2/c1-5-8-11(2)25-12(3)14-9-6-7-10-15(14)23-19(24)17-16(18(20)21)22-13(4)26-17/h6-7,9-12,18H,5,8H2,1-4H3,(H,23,24)
InChIKeyYIVVUYLBGQJOMZ-UHFFFAOYSA-N
XLogP6.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-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 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 59559831) is 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide is CCCC(C)SC(C)c1ccccc1NC(=O)c1sc(C)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YIVVUYLBGQJOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2OS2/c1-5-8-11(2)25-12(3)14-9-6-7-10-15(14)23-19(24)17-16(18(20)21)22-13(4)26-17/h6-7,9-12,18H,5,8H2,1-4H3,(H,23,24).
What are the key properties of 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 398.54 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyl-N-[2-(1-pentan-2-ylsulfanylethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59559831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).