1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol

C11H19NOS — CID 63891102

IUPAC1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(CC(C)(C)C)sc1C(C)O
InChIInChI=1S/C11H19NOS/c1-7-10(8(2)13)14-9(12-7)6-11(3,4)5/h8,13H,6H2,1-5H3
InChIKeyQLTYBULGIKKKPK-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.09
Rot. Bonds2

About 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol

1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 63891102) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID63891102
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(CC(C)(C)C)sc1C(C)O
InChIInChI=1S/C11H19NOS/c1-7-10(8(2)13)14-9(12-7)6-11(3,4)5/h8,13H,6H2,1-5H3
InChIKeyQLTYBULGIKKKPK-UHFFFAOYSA-N
XLogP3.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
CID 62693449
(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001080
1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol
CID 66098660
1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116728207
1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116775188
2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154268
1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 112666406
1-[4-methyl-2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753850
1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62754517
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine
CID 115919198
1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754901
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 63891102) is 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(CC(C)(C)C)sc1C(C)O.
What is the InChIKey of 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is QLTYBULGIKKKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-7-10(8(2)13)14-9(12-7)6-11(3,4)5/h8,13H,6H2,1-5H3.
What are the key properties of 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 213.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 63891102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).