N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide

C17H21F3N2O2S — CID 60618098

IUPACN-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CSCN1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2S/c1-16(2,3)21-15(24)13-9-25-10-22(13)14(23)8-11-4-6-12(7-5-11)17(18,19)20/h4-7,13H,8-10H2,1-3H3,(H,21,24)
InChIKeyFKIMNHQRXSAJOF-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.06
Rot. Bonds3

About N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide

N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 60618098) has the molecular formula C17H21F3N2O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID60618098
Molecular FormulaC17H21F3N2O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC NameN-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CSCN1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2S/c1-16(2,3)21-15(24)13-9-25-10-22(13)14(23)8-11-4-6-12(7-5-11)17(18,19)20/h4-7,13H,8-10H2,1-3H3,(H,21,24)
InChIKeyFKIMNHQRXSAJOF-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide (CID 60618098) is N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide is CC(C)(C)NC(=O)C1CSCN1C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FKIMNHQRXSAJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2S/c1-16(2,3)21-15(24)13-9-25-10-22(13)14(23)8-11-4-6-12(7-5-11)17(18,19)20/h4-7,13H,8-10H2,1-3H3,(H,21,24).
What are the key properties of N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide?
N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60618098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).