2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide

C9H16BrNOS — CID 174621034

IUPAC2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide
SMILESBr.C=CCN1CSC(CCO)=C1C
InChIInChI=1S/C9H15NOS.BrH/c1-3-5-10-7-12-9(4-6-11)8(10)2;/h3,11H,1,4-7H2,2H3;1H
InChIKeyMLQUXOXFKGVNKJ-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide

2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide (PubChem CID 174621034) has the molecular formula C9H16BrNOS and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide
PubChem CID174621034
Molecular FormulaC9H16BrNOS
Molecular Weight266.20 g/mol
Exact Mass265.01
IUPAC Name2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide
SMILESBr.C=CCN1CSC(CCO)=C1C
InChIInChI=1S/C9H15NOS.BrH/c1-3-5-10-7-12-9(4-6-11)8(10)2;/h3,11H,1,4-7H2,2H3;1H
InChIKeyMLQUXOXFKGVNKJ-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide?
The IUPAC name of 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide (CID 174621034) is 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide.
What is the SMILES notation for 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide?
The canonical SMILES for 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide is Br.C=CCN1CSC(CCO)=C1C.
What is the InChIKey of 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide?
The InChIKey is MLQUXOXFKGVNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS.BrH/c1-3-5-10-7-12-9(4-6-11)8(10)2;/h3,11H,1,4-7H2,2H3;1H.
What are the key properties of 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide?
2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide has a molecular weight of 266.20 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide is sourced from PubChem (CID 174621034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).