(4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C14H15F3N6OS — CID 91631596

IUPAC(4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3snnc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N6OS/c1-8-12(25-21-20-8)13(24)23-5-3-22(4-6-23)11-7-10(14(15,16)17)18-9(2)19-11/h7H,3-6H2,1-2H3
InChIKeyBSNXVQNOCOSGJU-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.93
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631596) has the molecular formula C14H15F3N6OS and a molecular weight of 372.38 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631596
Molecular FormulaC14H15F3N6OS
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Name(4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3snnc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N6OS/c1-8-12(25-21-20-8)13(24)23-5-3-22(4-6-23)11-7-10(14(15,16)17)18-9(2)19-11/h7H,3-6H2,1-2H3
InChIKeyBSNXVQNOCOSGJU-UHFFFAOYSA-N
XLogP1.93
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631596) is (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3snnc3C)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is BSNXVQNOCOSGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6OS/c1-8-12(25-21-20-8)13(24)23-5-3-22(4-6-23)11-7-10(14(15,16)17)18-9(2)19-11/h7H,3-6H2,1-2H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 372.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).