[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate

C12H8BrClFNO3S — CID 70312302

IUPAC[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1nc(-c2ccc(F)c(Cl)c2)c(Br)s1
InChIInChI=1S/C12H8BrClFNO3S/c1-2-18-12(17)19-11-16-9(10(13)20-11)6-3-4-8(15)7(14)5-6/h3-5H,2H2,1H3
InChIKeyFVPIFAOMEPMHSS-UHFFFAOYSA-N
MW380.62 g/mol
LogP4.90
Rot. Bonds3

About [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate

[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate (PubChem CID 70312302) has the molecular formula C12H8BrClFNO3S and a molecular weight of 380.62 g/mol. Its IUPAC name is [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate
PubChem CID70312302
Molecular FormulaC12H8BrClFNO3S
Molecular Weight380.62 g/mol
Exact Mass378.91
IUPAC Name[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1nc(-c2ccc(F)c(Cl)c2)c(Br)s1
InChIInChI=1S/C12H8BrClFNO3S/c1-2-18-12(17)19-11-16-9(10(13)20-11)6-3-4-8(15)7(14)5-6/h3-5H,2H2,1H3
InChIKeyFVPIFAOMEPMHSS-UHFFFAOYSA-N
XLogP4.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate?
The IUPAC name of [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate (CID 70312302) is [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate.
What is the SMILES notation for [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate?
The canonical SMILES for [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate is CCOC(=O)Oc1nc(-c2ccc(F)c(Cl)c2)c(Br)s1.
What is the InChIKey of [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate?
The InChIKey is FVPIFAOMEPMHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO3S/c1-2-18-12(17)19-11-16-9(10(13)20-11)6-3-4-8(15)7(14)5-6/h3-5H,2H2,1H3.
What are the key properties of [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate?
[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate has a molecular weight of 380.62 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] ethyl carbonate is sourced from PubChem (CID 70312302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).