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

C12H22N4OS — CID 133486138

IUPAC(2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
SMILESCC(C)c1nsc(N2CCN(C[C@@H](C)O)CC2)n1
InChIInChI=1S/C12H22N4OS/c1-9(2)11-13-12(18-14-11)16-6-4-15(5-7-16)8-10(3)17/h9-10,17H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyYRLCMEPFAYJMSM-SNVBAGLBSA-N
MW270.40 g/mol
LogP1.16
Rot. Bonds4

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

(2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133486138) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is (2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
PubChem CID133486138
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name(2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
SMILESCC(C)c1nsc(N2CCN(C[C@@H](C)O)CC2)n1
InChIInChI=1S/C12H22N4OS/c1-9(2)11-13-12(18-14-11)16-6-4-15(5-7-16)8-10(3)17/h9-10,17H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyYRLCMEPFAYJMSM-SNVBAGLBSA-N
XLogP1.16
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-(3-propan-2-yl-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 (2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol (CID 133486138) is (2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol is CC(C)c1nsc(N2CCN(C[C@@H](C)O)CC2)n1.
What is the InChIKey of (2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is YRLCMEPFAYJMSM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-9(2)11-13-12(18-14-11)16-6-4-15(5-7-16)8-10(3)17/h9-10,17H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 270.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).