1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide

C9H17N5OS — CID 19826651

IUPAC1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide
SMILESCC1CNCCN1C.NC(=O)c1cnsn1
InChIInChI=1S/C6H14N2.C3H3N3OS/c1-6-5-7-3-4-8(6)2;4-3(7)2-1-5-8-6-2/h6-7H,3-5H2,1-2H3;1H,(H2,4,7)
InChIKeyYYFRJQXJYXTQIM-UHFFFAOYSA-N
MW243.34 g/mol
LogP-0.45
Rot. Bonds1

About 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide

1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide (PubChem CID 19826651) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound Name1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide
PubChem CID19826651
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide
SMILESCC1CNCCN1C.NC(=O)c1cnsn1
InChIInChI=1S/C6H14N2.C3H3N3OS/c1-6-5-7-3-4-8(6)2;4-3(7)2-1-5-8-6-2/h6-7H,3-5H2,1-2H3;1H,(H2,4,7)
InChIKeyYYFRJQXJYXTQIM-UHFFFAOYSA-N
XLogP-0.45
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide (CID 19826651) is 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide is CC1CNCCN1C.NC(=O)c1cnsn1.
What is the InChIKey of 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide?
The InChIKey is YYFRJQXJYXTQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C3H3N3OS/c1-6-5-7-3-4-8(6)2;4-3(7)2-1-5-8-6-2/h6-7H,3-5H2,1-2H3;1H,(H2,4,7).
What are the key properties of 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide?
1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide has a molecular weight of 243.34 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperazine;1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 19826651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).