1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide

C20H17F6N3O3S — CID 59735026

IUPAC1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide
SMILESCC(=O)Nc1nc(C2(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC(=O)C2)cs1
InChIInChI=1S/C20H17F6N3O3S/c1-10(30)28-17-29-15(9-33-17)18(3-2-14(31)7-18)16(32)27-8-11-4-12(19(21,22)23)6-13(5-11)20(24,25)26/h4-6,9H,2-3,7-8H2,1H3,(H,27,32)(H,28,29,30)
InChIKeyRYIKRXZCFARIQP-UHFFFAOYSA-N
MW493.43 g/mol
LogP4.45
Rot. Bonds5

About 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide

1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide (PubChem CID 59735026) has the molecular formula C20H17F6N3O3S and a molecular weight of 493.43 g/mol. Its IUPAC name is 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide
PubChem CID59735026
Molecular FormulaC20H17F6N3O3S
Molecular Weight493.43 g/mol
Exact Mass493.09
IUPAC Name1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide
SMILESCC(=O)Nc1nc(C2(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC(=O)C2)cs1
InChIInChI=1S/C20H17F6N3O3S/c1-10(30)28-17-29-15(9-33-17)18(3-2-14(31)7-18)16(32)27-8-11-4-12(19(21,22)23)6-13(5-11)20(24,25)26/h4-6,9H,2-3,7-8H2,1H3,(H,27,32)(H,28,29,30)
InChIKeyRYIKRXZCFARIQP-UHFFFAOYSA-N
XLogP4.45
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.43
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide?
The IUPAC name of 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide (CID 59735026) is 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide is CC(=O)Nc1nc(C2(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC(=O)C2)cs1.
What is the InChIKey of 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide?
The InChIKey is RYIKRXZCFARIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6N3O3S/c1-10(30)28-17-29-15(9-33-17)18(3-2-14(31)7-18)16(32)27-8-11-4-12(19(21,22)23)6-13(5-11)20(24,25)26/h4-6,9H,2-3,7-8H2,1H3,(H,27,32)(H,28,29,30).
What are the key properties of 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide?
1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide has a molecular weight of 493.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 59735026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).