2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole

C10H4BrCl2F2NOS — CID 107100303

IUPAC2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
SMILESFc1cc(Br)cc(Oc2nc(Cl)c(CCl)s2)c1F
InChIInChI=1S/C10H4BrCl2F2NOS/c11-4-1-5(14)8(15)6(2-4)17-10-16-9(13)7(3-12)18-10/h1-2H,3H2
InChIKeyUBZYNCXVMGNPIF-UHFFFAOYSA-N
MW375.02 g/mol
LogP5.37
Rot. Bonds3

About 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole

2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole (PubChem CID 107100303) has the molecular formula C10H4BrCl2F2NOS and a molecular weight of 375.02 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
PubChem CID107100303
Molecular FormulaC10H4BrCl2F2NOS
Molecular Weight375.02 g/mol
Exact Mass372.85
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
SMILESFc1cc(Br)cc(Oc2nc(Cl)c(CCl)s2)c1F
InChIInChI=1S/C10H4BrCl2F2NOS/c11-4-1-5(14)8(15)6(2-4)17-10-16-9(13)7(3-12)18-10/h1-2H,3H2
InChIKeyUBZYNCXVMGNPIF-UHFFFAOYSA-N
XLogP5.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.02
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

CID 170408959
CID 170408959
CID 73012762
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CID 73012764
CID 73012764
CID 79016699
CID 79016699
CID 79016781
CID 79016781
CID 79016862
CID 79016862
CID 80687148
CID 80687148
CID 80687691
CID 80687691
CID 80688157
CID 80688157
CID 80688158
CID 80688158
CID 80688192
CID 80688192
CID 80688343
CID 80688343

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole (CID 107100303) is 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole is Fc1cc(Br)cc(Oc2nc(Cl)c(CCl)s2)c1F.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
The InChIKey is UBZYNCXVMGNPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2F2NOS/c11-4-1-5(14)8(15)6(2-4)17-10-16-9(13)7(3-12)18-10/h1-2H,3H2.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole?
2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole has a molecular weight of 375.02 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole is sourced from PubChem (CID 107100303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).