[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone

C10H16N4OS2 — CID 114238331

IUPAC[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCNc1nnc(C(=O)N2CCC(SC)CC2)s1
InChIInChI=1S/C10H16N4OS2/c1-11-10-13-12-8(17-10)9(15)14-5-3-7(16-2)4-6-14/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyQBFNJLPMYSYQQU-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.55
Rot. Bonds3

About [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone

[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone (PubChem CID 114238331) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
PubChem CID114238331
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCNc1nnc(C(=O)N2CCC(SC)CC2)s1
InChIInChI=1S/C10H16N4OS2/c1-11-10-13-12-8(17-10)9(15)14-5-3-7(16-2)4-6-14/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyQBFNJLPMYSYQQU-UHFFFAOYSA-N
XLogP1.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone?
The IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone (CID 114238331) is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone is CNc1nnc(C(=O)N2CCC(SC)CC2)s1.
What is the InChIKey of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone?
The InChIKey is QBFNJLPMYSYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-11-10-13-12-8(17-10)9(15)14-5-3-7(16-2)4-6-14/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone?
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone has a molecular weight of 272.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone is sourced from PubChem (CID 114238331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).