(4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone

C8H8BrNO3S2 — CID 130955878

IUPAC(4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(c1nc(Br)cs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H8BrNO3S2/c9-6-3-14-8(10-6)7(11)5-1-2-15(12,13)4-5/h3,5H,1-2,4H2
InChIKeyPZWOWUXWMXVHNN-UHFFFAOYSA-N
MW310.19 g/mol
LogP1.52
Rot. Bonds2

About (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone

(4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone (PubChem CID 130955878) has the molecular formula C8H8BrNO3S2 and a molecular weight of 310.19 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone
PubChem CID130955878
Molecular FormulaC8H8BrNO3S2
Molecular Weight310.19 g/mol
Exact Mass308.91
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(c1nc(Br)cs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H8BrNO3S2/c9-6-3-14-8(10-6)7(11)5-1-2-15(12,13)4-5/h3,5H,1-2,4H2
InChIKeyPZWOWUXWMXVHNN-UHFFFAOYSA-N
XLogP1.52
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone (CID 130955878) is (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone is O=C(c1nc(Br)cs1)C1CCS(=O)(=O)C1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone?
The InChIKey is PZWOWUXWMXVHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3S2/c9-6-3-14-8(10-6)7(11)5-1-2-15(12,13)4-5/h3,5H,1-2,4H2.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone?
(4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone has a molecular weight of 310.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone is sourced from PubChem (CID 130955878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).