(4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

C16H18F3N5O2S — CID 122267564

IUPAC(4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H18F3N5O2S/c1-2-4-11-13(27-23-22-11)14(25)24-8-3-5-10(9-24)26-15-20-7-6-12(21-15)16(17,18)19/h6-7,10H,2-5,8-9H2,1H3
InChIKeyOIAQQICUZSMUDS-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.98
Rot. Bonds5

About (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

(4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 122267564) has the molecular formula C16H18F3N5O2S and a molecular weight of 401.41 g/mol. Its IUPAC name is (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
PubChem CID122267564
Molecular FormulaC16H18F3N5O2S
Molecular Weight401.41 g/mol
Exact Mass401.11
IUPAC Name(4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H18F3N5O2S/c1-2-4-11-13(27-23-22-11)14(25)24-8-3-5-10(9-24)26-15-20-7-6-12(21-15)16(17,18)19/h6-7,10H,2-5,8-9H2,1H3
InChIKeyOIAQQICUZSMUDS-UHFFFAOYSA-N
XLogP2.98
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-propyl-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]-1,2,3-thiadiazole-5-carboxamide
CID 91626398
(4-Propyl-1,2,3-thiadiazol-5-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631507
(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 122258447
(2,4-Dimethylthiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267527
(4-Methyl-1,2,3-thiadiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267532
(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
CID 122267658
(4-Propyl-1,2,3-thiadiazol-5-yl)(4-(pyrimidin-2-yloxy)piperidin-1-yl)methanone
CID 90558804
4-propyl-N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)-1,2,3-thiadiazole-5-carboxamide
CID 90633362
(4-Ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114939
(4-Ethylthiadiazol-5-yl)-[6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110115268
(4-Ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 110115514
(4-Ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116403

Frequently Asked Questions

What is the IUPAC name of (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (CID 122267564) is (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is CCCc1nnsc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is OIAQQICUZSMUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2S/c1-2-4-11-13(27-23-22-11)14(25)24-8-3-5-10(9-24)26-15-20-7-6-12(21-15)16(17,18)19/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
(4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 401.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122267564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).