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

C15H26N2OS — CID 62778480

IUPAC[4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCC1CCCCN1c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C15H26N2OS/c1-5-11-8-6-7-9-17(11)14-16-13(15(2,3)4)12(10-18)19-14/h11,18H,5-10H2,1-4H3
InChIKeyKPTOSFBQODPQKV-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.70
Rot. Bonds3

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

[4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 62778480) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is [4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID62778480
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name[4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCC1CCCCN1c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C15H26N2OS/c1-5-11-8-6-7-9-17(11)14-16-13(15(2,3)4)12(10-18)19-14/h11,18H,5-10H2,1-4H3
InChIKeyKPTOSFBQODPQKV-UHFFFAOYSA-N
XLogP3.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
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[4-tert-butyl-2-(5-ethyl-2-methylmorpholin-4-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-dimethylpiperidin-1-yl)-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
CID 63520638
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341
[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
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104692540
[4-cyclopropyl-2-(2-ethylpyrrolidin-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-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol (CID 62778480) is [4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol is CCC1CCCCN1c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of [4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is KPTOSFBQODPQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-11-8-6-7-9-17(11)14-16-13(15(2,3)4)12(10-18)19-14/h11,18H,5-10H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 282.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).