(5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol

C7H12BrNOS — CID 174592468

IUPAC(5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol
SMILESCCN1C(C)=C(Br)SC1CO
InChIInChI=1S/C7H12BrNOS/c1-3-9-5(2)7(8)11-6(9)4-10/h6,10H,3-4H2,1-2H3
InChIKeyGRFXHUMSDPCLNT-UHFFFAOYSA-N
MW238.15 g/mol
LogP1.96
Rot. Bonds2

About (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol

(5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol (PubChem CID 174592468) has the molecular formula C7H12BrNOS and a molecular weight of 238.15 g/mol. Its IUPAC name is (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol
PubChem CID174592468
Molecular FormulaC7H12BrNOS
Molecular Weight238.15 g/mol
Exact Mass236.98
IUPAC Name(5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol
SMILESCCN1C(C)=C(Br)SC1CO
InChIInChI=1S/C7H12BrNOS/c1-3-9-5(2)7(8)11-6(9)4-10/h6,10H,3-4H2,1-2H3
InChIKeyGRFXHUMSDPCLNT-UHFFFAOYSA-N
XLogP1.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol
CID 141259283

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol?
The IUPAC name of (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol (CID 174592468) is (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol is CCN1C(C)=C(Br)SC1CO.
What is the InChIKey of (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol?
The InChIKey is GRFXHUMSDPCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNOS/c1-3-9-5(2)7(8)11-6(9)4-10/h6,10H,3-4H2,1-2H3.
What are the key properties of (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol?
(5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol has a molecular weight of 238.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-ethyl-4-methyl-2H-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 174592468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).