(2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide

C15H13F3N2O2S2 — CID 99986038

IUPAC(2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccs1)N1CCS[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2S2/c16-15(17,18)22-11-5-3-10(4-6-11)13-20(7-9-24-13)14(21)19-12-2-1-8-23-12/h1-6,8,13H,7,9H2,(H,19,21)/t13-/m0/s1
InChIKeyYKQQALGJXIOGTC-ZDUSSCGKSA-N
MW374.41 g/mol
LogP4.93
Rot. Bonds3

About (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide

(2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 99986038) has the molecular formula C15H13F3N2O2S2 and a molecular weight of 374.41 g/mol. Its IUPAC name is (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID99986038
Molecular FormulaC15H13F3N2O2S2
Molecular Weight374.41 g/mol
Exact Mass374.04
IUPAC Name(2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccs1)N1CCS[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2S2/c16-15(17,18)22-11-5-3-10(4-6-11)13-20(7-9-24-13)14(21)19-12-2-1-8-23-12/h1-6,8,13H,7,9H2,(H,19,21)/t13-/m0/s1
InChIKeyYKQQALGJXIOGTC-ZDUSSCGKSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide (CID 99986038) is (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1cccs1)N1CCS[C@H]1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is YKQQALGJXIOGTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13F3N2O2S2/c16-15(17,18)22-11-5-3-10(4-6-11)13-20(7-9-24-13)14(21)19-12-2-1-8-23-12/h1-6,8,13H,7,9H2,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
(2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 99986038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).