(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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Related Compounds

1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722706
Methyl 4-((4-methyl-1,2,3-thiadiazole-5-carboxamido)methyl)piperidine-1-carboxylate
CID 49688720
(4-(((4,5-Dihydrothiazol-2-yl)thio)methyl)piperidin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 71801031
(4-{[(S)-2-methyl-4-methyl-1-piperazinyl]methyl}-1-piperidyl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 97039596
4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95209726
[4-(Difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 135153410
N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide
CID 135153488
[4-(Difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone
CID 142383509
1-(4-Methyl-1,2,3-thiadiazole-5-carbonyl)-4-(propan-2-YL)piperazine
CID 53016991
(4-Ethylthiadiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45863284
(4-Methylthiadiazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 49718424
N1-((1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49755039

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).