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

C15H15F3N4OS — CID 139006330

IUPAC[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3cnc(C(F)(F)F)nc3)CC2)s1
InChIInChI=1S/C15H15F3N4OS/c1-9-6-19-12(24-9)10-2-4-22(5-3-10)13(23)11-7-20-14(21-8-11)15(16,17)18/h6-8,10H,2-5H2,1H3
InChIKeyNRMZYPSMFPLMBX-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.28
Rot. Bonds2

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

[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 139006330) has the molecular formula C15H15F3N4OS and a molecular weight of 356.37 g/mol. Its IUPAC name is [4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID139006330
Molecular FormulaC15H15F3N4OS
Molecular Weight356.37 g/mol
Exact Mass356.09
IUPAC Name[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3cnc(C(F)(F)F)nc3)CC2)s1
InChIInChI=1S/C15H15F3N4OS/c1-9-6-19-12(24-9)10-2-4-22(5-3-10)13(23)11-7-20-14(21-8-11)15(16,17)18/h6-8,10H,2-5H2,1H3
InChIKeyNRMZYPSMFPLMBX-UHFFFAOYSA-N
XLogP3.28
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of [4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 139006330) is [4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for [4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is Cc1cnc(C2CCN(C(=O)c3cnc(C(F)(F)F)nc3)CC2)s1.
What is the InChIKey of [4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is NRMZYPSMFPLMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4OS/c1-9-6-19-12(24-9)10-2-4-22(5-3-10)13(23)11-7-20-14(21-8-11)15(16,17)18/h6-8,10H,2-5H2,1H3.
What are the key properties of [4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 356.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 139006330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).