5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C11H8F3N3OS2 — CID 144935364

IUPAC5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC(F)(F)F)c1nc(-c2nccs2)sc1C1CC1
InChIInChI=1S/C11H8F3N3OS2/c12-11(13,14)17-8(18)6-7(5-1-2-5)20-10(16-6)9-15-3-4-19-9/h3-5H,1-2H2,(H,17,18)
InChIKeyYIHYNPQGOXILPC-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.39
Rot. Bonds3

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

5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 144935364) has the molecular formula C11H8F3N3OS2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID144935364
Molecular FormulaC11H8F3N3OS2
Molecular Weight319.33 g/mol
Exact Mass319.01
IUPAC Name5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC(F)(F)F)c1nc(-c2nccs2)sc1C1CC1
InChIInChI=1S/C11H8F3N3OS2/c12-11(13,14)17-8(18)6-7(5-1-2-5)20-10(16-6)9-15-3-4-19-9/h3-5H,1-2H2,(H,17,18)
InChIKeyYIHYNPQGOXILPC-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 144935364) is 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide is O=C(NC(F)(F)F)c1nc(-c2nccs2)sc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YIHYNPQGOXILPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS2/c12-11(13,14)17-8(18)6-7(5-1-2-5)20-10(16-6)9-15-3-4-19-9/h3-5H,1-2H2,(H,17,18).
What are the key properties of 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 144935364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).