N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

C20H21F3N2OS — CID 3300468

IUPACN-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCSC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2OS/c1-13(2)14-5-9-17(10-6-14)24-19(26)25-11-12-27-18(25)15-3-7-16(8-4-15)20(21,22)23/h3-10,13,18H,11-12H2,1-2H3,(H,24,26)
InChIKeyXUVHLAKCBSNBEQ-UHFFFAOYSA-N
MW394.46 g/mol
LogP6.11
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 3300468) has the molecular formula C20H21F3N2OS and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID3300468
Molecular FormulaC20H21F3N2OS
Molecular Weight394.46 g/mol
Exact Mass394.13
IUPAC NameN-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCSC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2OS/c1-13(2)14-5-9-17(10-6-14)24-19(26)25-11-12-27-18(25)15-3-7-16(8-4-15)20(21,22)23/h3-10,13,18H,11-12H2,1-2H3,(H,24,26)
InChIKeyXUVHLAKCBSNBEQ-UHFFFAOYSA-N
XLogP6.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.46
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
(2R)-N-(4-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028914
(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028933
2-(3,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4572811
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077872
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-bromophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328975
(2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 97496235
(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025816
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 3300468) is N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is CC(C)c1ccc(NC(=O)N2CCSC2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is XUVHLAKCBSNBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2OS/c1-13(2)14-5-9-17(10-6-14)24-19(26)25-11-12-27-18(25)15-3-7-16(8-4-15)20(21,22)23/h3-10,13,18H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 3300468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).