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

C14H14F3N5O2S — CID 122267532

IUPAC(4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H14F3N5O2S/c1-8-11(25-21-20-8)12(23)22-6-2-3-9(7-22)24-13-18-5-4-10(19-13)14(15,16)17/h4-5,9H,2-3,6-7H2,1H3
InChIKeyNVXBGCQNJWVOAU-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.34
Rot. Bonds3

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

(4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 122267532) has the molecular formula C14H14F3N5O2S and a molecular weight of 373.36 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
PubChem CID122267532
Molecular FormulaC14H14F3N5O2S
Molecular Weight373.36 g/mol
Exact Mass373.08
IUPAC Name(4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H14F3N5O2S/c1-8-11(25-21-20-8)12(23)22-6-2-3-9(7-22)24-13-18-5-4-10(19-13)14(15,16)17/h4-5,9H,2-3,6-7H2,1H3
InChIKeyNVXBGCQNJWVOAU-UHFFFAOYSA-N
XLogP2.34
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.34
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)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (CID 122267532) is (4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is Cc1nnsc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is NVXBGCQNJWVOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2S/c1-8-11(25-21-20-8)12(23)22-6-2-3-9(7-22)24-13-18-5-4-10(19-13)14(15,16)17/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 373.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122267532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).