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

C10H16N4OS — CID 80615425

IUPAC[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCNc1nnc(C(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C10H16N4OS/c1-7-3-5-14(6-4-7)9(15)8-12-13-10(11-2)16-8/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyPEGJQKXWAGDLMZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.45
Rot. Bonds2

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

[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 80615425) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID80615425
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCNc1nnc(C(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C10H16N4OS/c1-7-3-5-14(6-4-7)9(15)8-12-13-10(11-2)16-8/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyPEGJQKXWAGDLMZ-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 80615425) is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone is CNc1nnc(C(=O)N2CCC(C)CC2)s1.
What is the InChIKey of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PEGJQKXWAGDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7-3-5-14(6-4-7)9(15)8-12-13-10(11-2)16-8/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80615425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).