2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

C20H20F3N3O2S — CID 86891533

IUPAC2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cnc(C2CC2)s1
InChIInChI=1S/C20H20F3N3O2S/c21-20(22,23)14-4-1-3-13(9-14)15(11-26-8-2-5-17(26)27)25-18(28)16-10-24-19(29-16)12-6-7-12/h1,3-4,9-10,12,15H,2,5-8,11H2,(H,25,28)
InChIKeySNOLEGMVXGWKKH-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.13
Rot. Bonds6

About 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 86891533) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID86891533
Molecular FormulaC20H20F3N3O2S
Molecular Weight423.46 g/mol
Exact Mass423.12
IUPAC Name2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cnc(C2CC2)s1
InChIInChI=1S/C20H20F3N3O2S/c21-20(22,23)14-4-1-3-13(9-14)15(11-26-8-2-5-17(26)27)25-18(28)16-10-24-19(29-16)12-6-7-12/h1,3-4,9-10,12,15H,2,5-8,11H2,(H,25,28)
InChIKeySNOLEGMVXGWKKH-UHFFFAOYSA-N
XLogP4.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (CID 86891533) is 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is O=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SNOLEGMVXGWKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c21-20(22,23)14-4-1-3-13(9-14)15(11-26-8-2-5-17(26)27)25-18(28)16-10-24-19(29-16)12-6-7-12/h1,3-4,9-10,12,15H,2,5-8,11H2,(H,25,28).
What are the key properties of 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86891533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).