[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol

C12H21N3OS — CID 55116778

IUPAC[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCC(C)N1CCN(c2ncc(CO)s2)CC1
InChIInChI=1S/C12H21N3OS/c1-3-10(2)14-4-6-15(7-5-14)12-13-8-11(9-16)17-12/h8,10,16H,3-7,9H2,1-2H3
InChIKeyMAGRLDAXPASMDS-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.56
Rot. Bonds4

About [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol

[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 55116778) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID55116778
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCC(C)N1CCN(c2ncc(CO)s2)CC1
InChIInChI=1S/C12H21N3OS/c1-3-10(2)14-4-6-15(7-5-14)12-13-8-11(9-16)17-12/h8,10,16H,3-7,9H2,1-2H3
InChIKeyMAGRLDAXPASMDS-UHFFFAOYSA-N
XLogP1.56
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (CID 55116778) is [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is CCC(C)N1CCN(c2ncc(CO)s2)CC1.
What is the InChIKey of [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is MAGRLDAXPASMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-10(2)14-4-6-15(7-5-14)12-13-8-11(9-16)17-12/h8,10,16H,3-7,9H2,1-2H3.
What are the key properties of [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 255.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55116778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).