[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol

C12H20ClN3OS — CID 80692897

IUPAC[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)N1CCN(c2nc(Cl)c(CO)s2)CC1
InChIInChI=1S/C12H20ClN3OS/c1-12(2,3)16-6-4-15(5-7-16)11-14-10(13)9(8-17)18-11/h17H,4-8H2,1-3H3
InChIKeyXOQAUPYNFLKZKY-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.21
Rot. Bonds2

About [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol

[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol (PubChem CID 80692897) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
PubChem CID80692897
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC Name[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)N1CCN(c2nc(Cl)c(CO)s2)CC1
InChIInChI=1S/C12H20ClN3OS/c1-12(2,3)16-6-4-15(5-7-16)11-14-10(13)9(8-17)18-11/h17H,4-8H2,1-3H3
InChIKeyXOQAUPYNFLKZKY-UHFFFAOYSA-N
XLogP2.21
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol (CID 80692897) is [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol is CC(C)(C)N1CCN(c2nc(Cl)c(CO)s2)CC1.
What is the InChIKey of [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol?
The InChIKey is XOQAUPYNFLKZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3OS/c1-12(2,3)16-6-4-15(5-7-16)11-14-10(13)9(8-17)18-11/h17H,4-8H2,1-3H3.
What are the key properties of [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol?
[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol has a molecular weight of 289.83 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).