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

C9H15N5OS — CID 80614899

IUPAC[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCNc1nnc(C(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C9H15N5OS/c1-10-9-12-11-7(16-9)8(15)14-5-3-13(2)4-6-14/h3-6H2,1-2H3,(H,10,12)
InChIKeyXQAMNUAHCFDFKN-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.03
Rot. Bonds2

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

[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 80614899) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID80614899
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCNc1nnc(C(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C9H15N5OS/c1-10-9-12-11-7(16-9)8(15)14-5-3-13(2)4-6-14/h3-6H2,1-2H3,(H,10,12)
InChIKeyXQAMNUAHCFDFKN-UHFFFAOYSA-N
XLogP-0.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide
CID 83025348
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 80615425
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114238331
3-azabicyclo[3.3.1]nonan-3-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114196780
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(2-methylmorpholin-4-yl)methanone
CID 80616219
(4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80617321
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80623450
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80616411
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80618423
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 80617166
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 80614899) is [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone is CNc1nnc(C(=O)N2CCN(C)CC2)s1.
What is the InChIKey of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XQAMNUAHCFDFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-10-9-12-11-7(16-9)8(15)14-5-3-13(2)4-6-14/h3-6H2,1-2H3,(H,10,12).
What are the key properties of [5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 241.32 g/mol, XLogP of -0.03, 2 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 80614899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).