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

C16H29N3OS — CID 62778341

IUPAC[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1nc(N2CCN(C(C)(C)C)CC2)sc1CO
InChIInChI=1S/C16H29N3OS/c1-15(2,3)13-12(11-20)21-14(17-13)18-7-9-19(10-8-18)16(4,5)6/h20H,7-11H2,1-6H3
InChIKeyGIGAMXJISGNFBJ-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.85
Rot. Bonds2

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

[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 62778341) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID62778341
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1nc(N2CCN(C(C)(C)C)CC2)sc1CO
InChIInChI=1S/C16H29N3OS/c1-15(2,3)13-12(11-20)21-14(17-13)18-7-9-19(10-8-18)16(4,5)6/h20H,7-11H2,1-6H3
InChIKeyGIGAMXJISGNFBJ-UHFFFAOYSA-N
XLogP2.85
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
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[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
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[4-tert-butyl-2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
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[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
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[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
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[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol
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[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
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[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
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N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766342
[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764111
[4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
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[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (CID 62778341) is [4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is CC(C)(C)c1nc(N2CCN(C(C)(C)C)CC2)sc1CO.
What is the InChIKey of [4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is GIGAMXJISGNFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-15(2,3)13-12(11-20)21-14(17-13)18-7-9-19(10-8-18)16(4,5)6/h20H,7-11H2,1-6H3.
What are the key properties of [4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 311.50 g/mol, XLogP of 2.85, 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-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).