5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide

C8H13N5OS — CID 1499019

IUPAC5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide
SMILESCN1CCN(c2snnc2C(N)=O)CC1
InChIInChI=1S/C8H13N5OS/c1-12-2-4-13(5-3-12)8-6(7(9)14)10-11-15-8/h2-5H2,1H3,(H2,9,14)
InChIKeyWMCPBEKWSRLYJE-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.61
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide

5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide (PubChem CID 1499019) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide
PubChem CID1499019
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide
SMILESCN1CCN(c2snnc2C(N)=O)CC1
InChIInChI=1S/C8H13N5OS/c1-12-2-4-13(5-3-12)8-6(7(9)14)10-11-15-8/h2-5H2,1H3,(H2,9,14)
InChIKeyWMCPBEKWSRLYJE-UHFFFAOYSA-N
XLogP-0.61
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide (CID 1499019) is 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide is CN1CCN(c2snnc2C(N)=O)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide?
The InChIKey is WMCPBEKWSRLYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-12-2-4-13(5-3-12)8-6(7(9)14)10-11-15-8/h2-5H2,1H3,(H2,9,14).
What are the key properties of 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide?
5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1499019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).