1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol

C11H20N4OS — CID 136528487

IUPAC1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
SMILESCc1nsc(N2CCN(CC(C)O)C(C)C2)n1
InChIInChI=1S/C11H20N4OS/c1-8-6-15(11-12-10(3)13-17-11)5-4-14(8)7-9(2)16/h8-9,16H,4-7H2,1-3H3
InChIKeyXCWIILYRSHDBFU-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.74
Rot. Bonds3

About 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol

1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol (PubChem CID 136528487) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
PubChem CID136528487
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
SMILESCc1nsc(N2CCN(CC(C)O)C(C)C2)n1
InChIInChI=1S/C11H20N4OS/c1-8-6-15(11-12-10(3)13-17-11)5-4-14(8)7-9(2)16/h8-9,16H,4-7H2,1-3H3
InChIKeyXCWIILYRSHDBFU-UHFFFAOYSA-N
XLogP0.74
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol (CID 136528487) is 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol is Cc1nsc(N2CCN(CC(C)O)C(C)C2)n1.
What is the InChIKey of 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is XCWIILYRSHDBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-8-6-15(11-12-10(3)13-17-11)5-4-14(8)7-9(2)16/h8-9,16H,4-7H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol?
1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 256.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 136528487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).