1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol

C15H27NO2S — CID 116752722

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H27NO2S/c1-7-15(8-2,18-6)12(17)9-13-16-11(10-19-13)14(3,4)5/h10,12,17H,7-9H2,1-6H3
InChIKeyRVSQFYRTBAGAHS-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.55
Rot. Bonds6

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol (PubChem CID 116752722) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol
PubChem CID116752722
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H27NO2S/c1-7-15(8-2,18-6)12(17)9-13-16-11(10-19-13)14(3,4)5/h10,12,17H,7-9H2,1-6H3
InChIKeyRVSQFYRTBAGAHS-UHFFFAOYSA-N
XLogP3.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
CID 79819859
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79828051
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol
CID 105115643
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 79817832
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79819728
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213765
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216992

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol (CID 116752722) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol is CCC(CC)(OC)C(O)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol?
The InChIKey is RVSQFYRTBAGAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-7-15(8-2,18-6)12(17)9-13-16-11(10-19-13)14(3,4)5/h10,12,17H,7-9H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol has a molecular weight of 285.45 g/mol, XLogP of 3.55, 6 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-ethyl-3-methoxypentan-2-ol is sourced from PubChem (CID 116752722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).