5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide

C15H16F3N3O2S2 — CID 130348665

IUPAC5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCC(=O)C(F)(F)F)C1N=C(c2nccs2)SC1C1CC1
InChIInChI=1S/C15H16F3N3O2S2/c16-15(17,18)9(22)2-1-5-19-12(23)10-11(8-3-4-8)25-14(21-10)13-20-6-7-24-13/h6-8,10-11H,1-5H2,(H,19,23)
InChIKeyKBPPSDDJVHGHMM-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.81
Rot. Bonds7

About 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide

5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 130348665) has the molecular formula C15H16F3N3O2S2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID130348665
Molecular FormulaC15H16F3N3O2S2
Molecular Weight391.44 g/mol
Exact Mass391.06
IUPAC Name5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCC(=O)C(F)(F)F)C1N=C(c2nccs2)SC1C1CC1
InChIInChI=1S/C15H16F3N3O2S2/c16-15(17,18)9(22)2-1-5-19-12(23)10-11(8-3-4-8)25-14(21-10)13-20-6-7-24-13/h6-8,10-11H,1-5H2,(H,19,23)
InChIKeyKBPPSDDJVHGHMM-UHFFFAOYSA-N
XLogP2.81
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-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 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 130348665) is 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide is O=C(NCCCC(=O)C(F)(F)F)C1N=C(c2nccs2)SC1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is KBPPSDDJVHGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S2/c16-15(17,18)9(22)2-1-5-19-12(23)10-11(8-3-4-8)25-14(21-10)13-20-6-7-24-13/h6-8,10-11H,1-5H2,(H,19,23).
What are the key properties of 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130348665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).