2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol

C9H15NOS — CID 58862444

IUPAC2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(C(C)C)sc1CCO
InChIInChI=1S/C9H15NOS/c1-6(2)9-10-7(3)8(12-9)4-5-11/h6,11H,4-5H2,1-3H3
InChIKeyMUEMHIUNVWELOB-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol

2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol (PubChem CID 58862444) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol
PubChem CID58862444
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(C(C)C)sc1CCO
InChIInChI=1S/C9H15NOS/c1-6(2)9-10-7(3)8(12-9)4-5-11/h6,11H,4-5H2,1-3H3
InChIKeyMUEMHIUNVWELOB-UHFFFAOYSA-N
XLogP2.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol (CID 58862444) is 2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol is Cc1nc(C(C)C)sc1CCO.
What is the InChIKey of 2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol?
The InChIKey is MUEMHIUNVWELOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-6(2)9-10-7(3)8(12-9)4-5-11/h6,11H,4-5H2,1-3H3.
What are the key properties of 2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol?
2-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol has a molecular weight of 185.29 g/mol, XLogP of 2.11, 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-propan-2-yl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 58862444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).