1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol

C17H30N2OS — CID 79828051

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C)c1csc(CC(O)C(C)(C)N2CCCCC2)n1
InChIInChI=1S/C17H30N2OS/c1-16(2,3)13-12-21-15(18-13)11-14(20)17(4,5)19-9-7-6-8-10-19/h12,14,20H,6-11H2,1-5H3
InChIKeyNOMOHXKIWYNABF-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol (PubChem CID 79828051) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
PubChem CID79828051
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C)c1csc(CC(O)C(C)(C)N2CCCCC2)n1
InChIInChI=1S/C17H30N2OS/c1-16(2,3)13-12-21-15(18-13)11-14(20)17(4,5)19-9-7-6-8-10-19/h12,14,20H,6-11H2,1-5H3
InChIKeyNOMOHXKIWYNABF-UHFFFAOYSA-N
XLogP3.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol
CID 116752722
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79045309
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
CID 79819859
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79055943
3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol
CID 115333323
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338047
5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol
CID 79818088
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79819728
1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79825971

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol (CID 79828051) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol is CC(C)(C)c1csc(CC(O)C(C)(C)N2CCCCC2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The InChIKey is NOMOHXKIWYNABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-16(2,3)13-12-21-15(18-13)11-14(20)17(4,5)19-9-7-6-8-10-19/h12,14,20H,6-11H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol has a molecular weight of 310.51 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 79828051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).