2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide

C21H14F8N2OS — CID 58319286

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1c(F)cc([C@@H](C)NC(=O)c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cc1F
InChIInChI=1S/C21H14F8N2OS/c1-9-15(22)5-11(6-16(9)23)10(2)31-18(32)17-8-30-19(33-17)12-3-13(20(24,25)26)7-14(4-12)21(27,28)29/h3-8,10H,1-2H3,(H,31,32)/t10-/m1/s1
InChIKeyVIYGOTXQRRLRCH-SNVBAGLBSA-N
MW494.41 g/mol
LogP6.93
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 58319286) has the molecular formula C21H14F8N2OS and a molecular weight of 494.41 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID58319286
Molecular FormulaC21H14F8N2OS
Molecular Weight494.41 g/mol
Exact Mass494.07
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1c(F)cc([C@@H](C)NC(=O)c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cc1F
InChIInChI=1S/C21H14F8N2OS/c1-9-15(22)5-11(6-16(9)23)10(2)31-18(32)17-8-30-19(33-17)12-3-13(20(24,25)26)7-14(4-12)21(27,28)29/h3-8,10H,1-2H3,(H,31,32)/t10-/m1/s1
InChIKeyVIYGOTXQRRLRCH-SNVBAGLBSA-N
XLogP6.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.41
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-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 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 58319286) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide is Cc1c(F)cc([C@@H](C)NC(=O)c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cc1F.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VIYGOTXQRRLRCH-SNVBAGLBSA-N. The full InChI is InChI=1S/C21H14F8N2OS/c1-9-15(22)5-11(6-16(9)23)10(2)31-18(32)17-8-30-19(33-17)12-3-13(20(24,25)26)7-14(4-12)21(27,28)29/h3-8,10H,1-2H3,(H,31,32)/t10-/m1/s1.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 494.41 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58319286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).