2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile

C11H15N5OS — CID 65215302

IUPAC2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C11H15N5OS/c1-11(2,8-12)16-5-3-15(4-6-16)10(17)9-7-13-14-18-9/h7H,3-6H2,1-2H3
InChIKeyVQCZUPKRTUJSGD-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.60
Rot. Bonds2

About 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile

2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile (PubChem CID 65215302) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile
PubChem CID65215302
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C11H15N5OS/c1-11(2,8-12)16-5-3-15(4-6-16)10(17)9-7-13-14-18-9/h7H,3-6H2,1-2H3
InChIKeyVQCZUPKRTUJSGD-UHFFFAOYSA-N
XLogP0.60
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile (CID 65215302) is 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile is CC(C)(C#N)N1CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile?
The InChIKey is VQCZUPKRTUJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-11(2,8-12)16-5-3-15(4-6-16)10(17)9-7-13-14-18-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile?
2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile has a molecular weight of 265.34 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 65215302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).