2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol

C13H23N3OS — CID 82427967

IUPAC2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCN1CCN(c2nc(C)c(C(C)(C)O)s2)CC1
InChIInChI=1S/C13H23N3OS/c1-5-15-6-8-16(9-7-15)12-14-10(2)11(18-12)13(3,4)17/h17H,5-9H2,1-4H3
InChIKeyRELZBXZUQIYOOE-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.82
Rot. Bonds3

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

2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82427967) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82427967
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCN1CCN(c2nc(C)c(C(C)(C)O)s2)CC1
InChIInChI=1S/C13H23N3OS/c1-5-15-6-8-16(9-7-15)12-14-10(2)11(18-12)13(3,4)17/h17H,5-9H2,1-4H3
InChIKeyRELZBXZUQIYOOE-UHFFFAOYSA-N
XLogP1.82
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427948
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570720
2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427864
N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 55113434
[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764111
N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82427959
1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82439728
2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427984
N-[[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763950
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82427519
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82435668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol (CID 82427967) is 2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol is CCN1CCN(c2nc(C)c(C(C)(C)O)s2)CC1.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is RELZBXZUQIYOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-15-6-8-16(9-7-15)12-14-10(2)11(18-12)13(3,4)17/h17H,5-9H2,1-4H3.
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 269.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82427967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).