(4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone

C15H19N5OS — CID 110115032

IUPAC(4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC(c2ccnc(C)n2)C1
InChIInChI=1S/C15H19N5OS/c1-3-12-14(22-19-18-12)15(21)20-8-4-5-11(9-20)13-6-7-16-10(2)17-13/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeySOYRRLUVQDFBOW-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.22
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 110115032) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID110115032
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC(c2ccnc(C)n2)C1
InChIInChI=1S/C15H19N5OS/c1-3-12-14(22-19-18-12)15(21)20-8-4-5-11(9-20)13-6-7-16-10(2)17-13/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeySOYRRLUVQDFBOW-UHFFFAOYSA-N
XLogP2.22
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 110115032) is (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCCC(c2ccnc(C)n2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is SOYRRLUVQDFBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-3-12-14(22-19-18-12)15(21)20-8-4-5-11(9-20)13-6-7-16-10(2)17-13/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 317.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110115032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).