2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole

C9H8BrNOS — CID 13158111

IUPAC2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole
SMILESBrc1ccc(OC2=NCCS2)cc1
InChIInChI=1S/C9H8BrNOS/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-4H,5-6H2
InChIKeyCGLIBKMOLMVHMP-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.93
Rot. Bonds1

About 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole

2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole (PubChem CID 13158111) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole
PubChem CID13158111
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole
SMILESBrc1ccc(OC2=NCCS2)cc1
InChIInChI=1S/C9H8BrNOS/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-4H,5-6H2
InChIKeyCGLIBKMOLMVHMP-UHFFFAOYSA-N
XLogP2.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2232519
((4-(4-Bromophenoxy)butyl)sulfanyl)formonitrile
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CID 13158103
(4-Bromophenyl) 2-isothiocyanatoethylsulfanylformate
CID 13158120
5-methylidene-2-phenoxy-4H-1,3-thiazole
CID 53310446
2-phenoxy-4H-1,3-thiazine
CID 53310447
1-bromo-4-[(E)-1-chloro-2-propylsulfanylethenoxy]benzene
CID 134988559
1-bromo-4-[(E)-2-butylsulfanyl-1-chloroethenoxy]benzene
CID 134988915
5-(4-Bromophenoxy)pentyl thiocyanate
CID 2238064
1-Bromo-4-[(methylsulfanyl)methoxy]benzene
CID 12331078
1-(4-Bromophenoxy)-2-methylthioethane
CID 21995949
N-[(4-bromophenoxy)methylsulfanyl]-N-methylmethanamine
CID 140994919

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole (CID 13158111) is 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole is Brc1ccc(OC2=NCCS2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole?
The InChIKey is CGLIBKMOLMVHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-4H,5-6H2.
What are the key properties of 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole?
2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole has a molecular weight of 258.14 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 13158111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).