(2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone

C15H10F3N3OS2 — CID 75386532

IUPAC(2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone
SMILESO=C(c1csc(-c2cccs2)n1)n1ccc(=NCC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3OS2/c16-15(17,18)9-19-10-3-5-21(6-4-10)14(22)11-8-24-13(20-11)12-2-1-7-23-12/h1-8H,9H2
InChIKeyZVQWONOFPMNCIZ-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.82
Rot. Bonds3

About (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone

(2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone (PubChem CID 75386532) has the molecular formula C15H10F3N3OS2 and a molecular weight of 369.39 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone
PubChem CID75386532
Molecular FormulaC15H10F3N3OS2
Molecular Weight369.39 g/mol
Exact Mass369.02
IUPAC Name(2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone
SMILESO=C(c1csc(-c2cccs2)n1)n1ccc(=NCC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3OS2/c16-15(17,18)9-19-10-3-5-21(6-4-10)14(22)11-8-24-13(20-11)12-2-1-7-23-12/h1-8H,9H2
InChIKeyZVQWONOFPMNCIZ-UHFFFAOYSA-N
XLogP3.82
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone with MolForge

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Related Compounds

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US9216962, Cfh325-B
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N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
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1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 56821389
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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone?
The IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone (CID 75386532) is (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone.
What is the SMILES notation for (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone?
The canonical SMILES for (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone is O=C(c1csc(-c2cccs2)n1)n1ccc(=NCC(F)(F)F)cc1.
What is the InChIKey of (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone?
The InChIKey is ZVQWONOFPMNCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3OS2/c16-15(17,18)9-19-10-3-5-21(6-4-10)14(22)11-8-24-13(20-11)12-2-1-7-23-12/h1-8H,9H2.
What are the key properties of (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone?
(2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone has a molecular weight of 369.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethylimino)-1-pyridinyl]methanone is sourced from PubChem (CID 75386532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).