(4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C15H17F3N6OS — CID 91631507

IUPAC(4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H17F3N6OS/c1-2-3-10-13(26-22-21-10)14(25)24-6-4-23(5-7-24)12-8-11(15(16,17)18)19-9-20-12/h8-9H,2-7H2,1H3
InChIKeyRIFXEIOOWDCQSP-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.26
Rot. Bonds4

About (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631507) has the molecular formula C15H17F3N6OS and a molecular weight of 386.40 g/mol. Its IUPAC name is (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631507
Molecular FormulaC15H17F3N6OS
Molecular Weight386.40 g/mol
Exact Mass386.11
IUPAC Name(4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H17F3N6OS/c1-2-3-10-13(26-22-21-10)14(25)24-6-4-23(5-7-24)12-8-11(15(16,17)18)19-9-20-12/h8-9H,2-7H2,1H3
InChIKeyRIFXEIOOWDCQSP-UHFFFAOYSA-N
XLogP2.26
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631507) is (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is CCCc1nnsc1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is RIFXEIOOWDCQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6OS/c1-2-3-10-13(26-22-21-10)14(25)24-6-4-23(5-7-24)12-8-11(15(16,17)18)19-9-20-12/h8-9H,2-7H2,1H3.
What are the key properties of (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 386.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiadiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).