(4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C10H12F3N3OS — CID 2746451

IUPAC(4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3OS/c1-6-8(18-15-14-6)9(17)16-4-2-7(3-5-16)10(11,12)13/h7H,2-5H2,1H3
InChIKeyLQGFQPFECSMGDJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.26
Rot. Bonds1

About (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 2746451) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID2746451
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name(4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3OS/c1-6-8(18-15-14-6)9(17)16-4-2-7(3-5-16)10(11,12)13/h7H,2-5H2,1H3
InChIKeyLQGFQPFECSMGDJ-UHFFFAOYSA-N
XLogP2.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 2746451) is (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1nnsc1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is LQGFQPFECSMGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-6-8(18-15-14-6)9(17)16-4-2-7(3-5-16)10(11,12)13/h7H,2-5H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 279.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 2746451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).