(2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

C17H21F3N2OS — CID 7405136

IUPAC(2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)N1CCS[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2OS/c18-17(19,20)13-6-4-5-12(11-13)15-22(9-10-24-15)16(23)21-14-7-2-1-3-8-14/h4-6,11,14-15H,1-3,7-10H2,(H,21,23)/t15-/m1/s1
InChIKeyZJXSXTMCPUUXIB-OAHLLOKOSA-N
MW358.43 g/mol
LogP4.80
Rot. Bonds2

About (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

(2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 7405136) has the molecular formula C17H21F3N2OS and a molecular weight of 358.43 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID7405136
Molecular FormulaC17H21F3N2OS
Molecular Weight358.43 g/mol
Exact Mass358.13
IUPAC Name(2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)N1CCS[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2OS/c18-17(19,20)13-6-4-5-12(11-13)15-22(9-10-24-15)16(23)21-14-7-2-1-3-8-14/h4-6,11,14-15H,1-3,7-10H2,(H,21,23)/t15-/m1/s1
InChIKeyZJXSXTMCPUUXIB-OAHLLOKOSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110
2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 4142914
cyclopropyl-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7364657
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4284700
(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025273
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036
(2R)-N-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7238468
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
N-(3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4088572
N-(2-ethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4101158
(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 7405136) is (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(NC1CCCCC1)N1CCS[C@@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is ZJXSXTMCPUUXIB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21F3N2OS/c18-17(19,20)13-6-4-5-12(11-13)15-22(9-10-24-15)16(23)21-14-7-2-1-3-8-14/h4-6,11,14-15H,1-3,7-10H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
(2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7405136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).