(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone

C12H20N4O2S — CID 102964764

IUPAC(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCCNc1nnc(C(=O)N2CCC(C)C(O)C2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-5-13-12-15-14-10(19-12)11(18)16-6-4-8(2)9(17)7-16/h8-9,17H,3-7H2,1-2H3,(H,13,15)
InChIKeyJQJIGXKTGULNEV-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.20
Rot. Bonds4

About (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone

(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 102964764) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID102964764
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCCNc1nnc(C(=O)N2CCC(C)C(O)C2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-5-13-12-15-14-10(19-12)11(18)16-6-4-8(2)9(17)7-16/h8-9,17H,3-7H2,1-2H3,(H,13,15)
InChIKeyJQJIGXKTGULNEV-UHFFFAOYSA-N
XLogP1.20
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone (CID 102964764) is (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone is CCCNc1nnc(C(=O)N2CCC(C)C(O)C2)s1.
What is the InChIKey of (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is JQJIGXKTGULNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-5-13-12-15-14-10(19-12)11(18)16-6-4-8(2)9(17)7-16/h8-9,17H,3-7H2,1-2H3,(H,13,15).
What are the key properties of (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 284.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 102964764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).