[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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Related Compounds

[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341
[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692510
[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692314
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
[4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692684
[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol
CID 80693113
[4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
CID 80692602
[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692404
N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide
CID 102736651
[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol
CID 81199670
[4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol
CID 114490327
[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 81474876

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).