2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol

C11H19NOS — CID 82426540

IUPAC2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(CC(C)C)sc1C(C)(C)O
InChIInChI=1S/C11H19NOS/c1-7(2)6-9-12-8(3)10(14-9)11(4,5)13/h7,13H,6H2,1-5H3
InChIKeyROWSPIFNCUFAQT-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.88
Rot. Bonds3

About 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol

2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82426540) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82426540
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(CC(C)C)sc1C(C)(C)O
InChIInChI=1S/C11H19NOS/c1-7(2)6-9-12-8(3)10(14-9)11(4,5)13/h7,13H,6H2,1-5H3
InChIKeyROWSPIFNCUFAQT-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82438989
2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426364
2-[4-methyl-2-(propan-2-ylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426459
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82427519
[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
4-tert-butyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114359338
2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82426889
2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82426840
ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole
CID 143926152
N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884752
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
CID 82426538
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139169

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol (CID 82426540) is 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol is Cc1nc(CC(C)C)sc1C(C)(C)O.
What is the InChIKey of 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is ROWSPIFNCUFAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-7(2)6-9-12-8(3)10(14-9)11(4,5)13/h7,13H,6H2,1-5H3.
What are the key properties of 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol?
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82426540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).