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

C10H4BrClFNO3S — CID 70317007

IUPAC[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1nc(-c2ccc(F)c(Cl)c2)c(Br)s1
InChIInChI=1S/C10H4BrClFNO3S/c11-8-7(14-9(18-8)17-10(15)16)4-1-2-6(13)5(12)3-4/h1-3H,(H,15,16)
InChIKeyRNIMMVKOTNDRBY-UHFFFAOYSA-N
MW352.57 g/mol
LogP4.42
Rot. Bonds2

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

[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate (PubChem CID 70317007) has the molecular formula C10H4BrClFNO3S and a molecular weight of 352.57 g/mol. Its IUPAC name is [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate
PubChem CID70317007
Molecular FormulaC10H4BrClFNO3S
Molecular Weight352.57 g/mol
Exact Mass350.88
IUPAC Name[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1nc(-c2ccc(F)c(Cl)c2)c(Br)s1
InChIInChI=1S/C10H4BrClFNO3S/c11-8-7(14-9(18-8)17-10(15)16)4-1-2-6(13)5(12)3-4/h1-3H,(H,15,16)
InChIKeyRNIMMVKOTNDRBY-UHFFFAOYSA-N
XLogP4.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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] hydrogen carbonate?
The IUPAC name of [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate (CID 70317007) is [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate.
What is the SMILES notation for [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate?
The canonical SMILES for [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate is O=C(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] hydrogen carbonate?
The InChIKey is RNIMMVKOTNDRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClFNO3S/c11-8-7(14-9(18-8)17-10(15)16)4-1-2-6(13)5(12)3-4/h1-3H,(H,15,16).
What are the key properties of [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate?
[5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate has a molecular weight of 352.57 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl] hydrogen carbonate is sourced from PubChem (CID 70317007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).