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

C11H19N3OS — CID 82514922

IUPAC2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCN1CCN(c2nc(C(C)(C)O)cs2)CC1
InChIInChI=1S/C11H19N3OS/c1-11(2,15)9-8-16-10(12-9)14-6-4-13(3)5-7-14/h8,15H,4-7H2,1-3H3
InChIKeyGACDQBGIAFZZRZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.12
Rot. Bonds2

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

2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 82514922) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID82514922
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCN1CCN(c2nc(C(C)(C)O)cs2)CC1
InChIInChI=1S/C11H19N3OS/c1-11(2,15)9-8-16-10(12-9)14-6-4-13(3)5-7-14/h8,15H,4-7H2,1-3H3
InChIKeyGACDQBGIAFZZRZ-UHFFFAOYSA-N
XLogP1.12
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol (CID 82514922) is 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol is CN1CCN(c2nc(C(C)(C)O)cs2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is GACDQBGIAFZZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,15)9-8-16-10(12-9)14-6-4-13(3)5-7-14/h8,15H,4-7H2,1-3H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 82514922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).