[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol

C13H23N3OS — CID 62779308

IUPAC[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCN1CCN(c2nc(C(C)(C)C)c(CO)s2)CC1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-10(9-17)18-12(14-11)16-7-5-15(4)6-8-16/h17H,5-9H2,1-4H3
InChIKeyQZSVWDZUCILJSD-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.68
Rot. Bonds2

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

[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 62779308) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID62779308
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCN1CCN(c2nc(C(C)(C)C)c(CO)s2)CC1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-10(9-17)18-12(14-11)16-7-5-15(4)6-8-16/h17H,5-9H2,1-4H3
InChIKeyQZSVWDZUCILJSD-UHFFFAOYSA-N
XLogP1.68
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.68
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
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766342
[4-tert-butyl-2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62932044
[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778656
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62766344
[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63619362
[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 65286588
[4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82439572
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol
CID 79937237
[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63520638
[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692897
[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764111

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (CID 62779308) is [4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is CN1CCN(c2nc(C(C)(C)C)c(CO)s2)CC1.
What is the InChIKey of [4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is QZSVWDZUCILJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2,3)11-10(9-17)18-12(14-11)16-7-5-15(4)6-8-16/h17H,5-9H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 269.41 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62779308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).