(4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C9H14N4OS — CID 7576698

IUPAC(4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C9H14N4OS/c1-7-8(15-11-10-7)9(14)13-5-3-12(2)4-6-13/h3-6H2,1-2H3
InChIKeyYSVQCFFIBDUQIC-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.23
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 7576698) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID7576698
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C9H14N4OS/c1-7-8(15-11-10-7)9(14)13-5-3-12(2)4-6-13/h3-6H2,1-2H3
InChIKeyYSVQCFFIBDUQIC-UHFFFAOYSA-N
XLogP0.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 7576698) is (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is YSVQCFFIBDUQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-7-8(15-11-10-7)9(14)13-5-3-12(2)4-6-13/h3-6H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 7576698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).