2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol

C13H23N3OS — CID 82425052

IUPAC2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCN1CCN(CCc2ncc(C(C)(C)O)s2)CC1
InChIInChI=1S/C13H23N3OS/c1-13(2,17)11-10-14-12(18-11)4-5-16-8-6-15(3)7-9-16/h10,17H,4-9H2,1-3H3
InChIKeyYCCHFPJOTUMNQG-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.16
Rot. Bonds4

About 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol

2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82425052) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82425052
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCN1CCN(CCc2ncc(C(C)(C)O)s2)CC1
InChIInChI=1S/C13H23N3OS/c1-13(2,17)11-10-14-12(18-11)4-5-16-8-6-15(3)7-9-16/h10,17H,4-9H2,1-3H3
InChIKeyYCCHFPJOTUMNQG-UHFFFAOYSA-N
XLogP1.16
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-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 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol (CID 82425052) is 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol is CN1CCN(CCc2ncc(C(C)(C)O)s2)CC1.
What is the InChIKey of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is YCCHFPJOTUMNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2,17)11-10-14-12(18-11)4-5-16-8-6-15(3)7-9-16/h10,17H,4-9H2,1-3H3.
What are the key properties of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 269.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82425052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).