(2-bromo-1,3-thiazol-4-yl) hydrogen carbonate

C4H2BrNO3S — CID 66633771

IUPAC(2-bromo-1,3-thiazol-4-yl) hydrogen carbonate
SMILESO=C(O)Oc1csc(Br)n1
InChIInChI=1S/C4H2BrNO3S/c5-3-6-2(1-10-3)9-4(7)8/h1H,(H,7,8)
InChIKeyFUVZKRQWCJJOQU-UHFFFAOYSA-N
MW224.03 g/mol
LogP1.96
Rot. Bonds1

About (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate

(2-bromo-1,3-thiazol-4-yl) hydrogen carbonate (PubChem CID 66633771) has the molecular formula C4H2BrNO3S and a molecular weight of 224.03 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-bromo-1,3-thiazol-4-yl) hydrogen carbonate
PubChem CID66633771
Molecular FormulaC4H2BrNO3S
Molecular Weight224.03 g/mol
Exact Mass222.89
IUPAC Name(2-bromo-1,3-thiazol-4-yl) hydrogen carbonate
SMILESO=C(O)Oc1csc(Br)n1
InChIInChI=1S/C4H2BrNO3S/c5-3-6-2(1-10-3)9-4(7)8/h1H,(H,7,8)
InChIKeyFUVZKRQWCJJOQU-UHFFFAOYSA-N
XLogP1.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.03
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazol-4-carbonic acid
CID 66911350
[2-(Trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate
CID 129283998
(2-Bromo-1,3-thiazol-4-yl) ethyl carbonate
CID 17802332
(4-Bromo-1,3-thiazol-2-yl) hydrogen carbonate
CID 66633804
(2-Bromo-1,3-thiazol-4-yl) formate
CID 88857719
(2-Bromo-1,3-thiazol-4-yl) carbamate
CID 156213094

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate?
The IUPAC name of (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate (CID 66633771) is (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate.
What is the SMILES notation for (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate?
The canonical SMILES for (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate is O=C(O)Oc1csc(Br)n1.
What is the InChIKey of (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate?
The InChIKey is FUVZKRQWCJJOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrNO3S/c5-3-6-2(1-10-3)9-4(7)8/h1H,(H,7,8).
What are the key properties of (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate?
(2-bromo-1,3-thiazol-4-yl) hydrogen carbonate has a molecular weight of 224.03 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,3-thiazol-4-yl) hydrogen carbonate is sourced from PubChem (CID 66633771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).