(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C15H15F3N2OS2 — CID 46531569

IUPAC(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H15F3N2OS2/c1-9-12(23-13(19-9)10-4-6-22-8-10)14(21)20-5-2-3-11(7-20)15(16,17)18/h4,6,8,11H,2-3,5,7H2,1H3
InChIKeyDPZVCOXQARLSFK-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.59
Rot. Bonds2

About (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 46531569) has the molecular formula C15H15F3N2OS2 and a molecular weight of 360.43 g/mol. Its IUPAC name is (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID46531569
Molecular FormulaC15H15F3N2OS2
Molecular Weight360.43 g/mol
Exact Mass360.06
IUPAC Name(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H15F3N2OS2/c1-9-12(23-13(19-9)10-4-6-22-8-10)14(21)20-5-2-3-11(7-20)15(16,17)18/h4,6,8,11H,2-3,5,7H2,1H3
InChIKeyDPZVCOXQARLSFK-UHFFFAOYSA-N
XLogP4.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 46531569) is (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1nc(-c2ccsc2)sc1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is DPZVCOXQARLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS2/c1-9-12(23-13(19-9)10-4-6-22-8-10)14(21)20-5-2-3-11(7-20)15(16,17)18/h4,6,8,11H,2-3,5,7H2,1H3.
What are the key properties of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 360.43 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46531569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).