3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol

C11H19NOS — CID 116891359

IUPAC3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol
SMILESCC(C)c1nc(C(CO)C(C)C)cs1
InChIInChI=1S/C11H19NOS/c1-7(2)9(5-13)10-6-14-11(12-10)8(3)4/h6-9,13H,5H2,1-4H3
InChIKeyWBCVQMDYEZSBNZ-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.00
Rot. Bonds4

About 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol

3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol (PubChem CID 116891359) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol
PubChem CID116891359
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol
SMILESCC(C)c1nc(C(CO)C(C)C)cs1
InChIInChI=1S/C11H19NOS/c1-7(2)9(5-13)10-6-14-11(12-10)8(3)4/h6-9,13H,5H2,1-4H3
InChIKeyWBCVQMDYEZSBNZ-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol
CID 58499202
3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891362
3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891375
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol
CID 116891373
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891384
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol
CID 116967341
3-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)propanoylamino]butanoic acid
CID 21190360
[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol
CID 91167837
3-methyl-2-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967340
N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 164629565
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol?
The IUPAC name of 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol (CID 116891359) is 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol is CC(C)c1nc(C(CO)C(C)C)cs1.
What is the InChIKey of 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol?
The InChIKey is WBCVQMDYEZSBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-7(2)9(5-13)10-6-14-11(12-10)8(3)4/h6-9,13H,5H2,1-4H3.
What are the key properties of 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol?
3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol is sourced from PubChem (CID 116891359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).