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

C8H8BrNOS2 — CID 131014441

IUPAC(4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone
SMILESO=C(c1nc(Br)cs1)C1CCCS1
InChIInChI=1S/C8H8BrNOS2/c9-6-4-13-8(10-6)7(11)5-2-1-3-12-5/h4-5H,1-3H2
InChIKeyNUYBDAXVMJUGOD-UHFFFAOYSA-N
MW278.20 g/mol
LogP2.98
Rot. Bonds2

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

(4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone (PubChem CID 131014441) has the molecular formula C8H8BrNOS2 and a molecular weight of 278.20 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone
PubChem CID131014441
Molecular FormulaC8H8BrNOS2
Molecular Weight278.20 g/mol
Exact Mass276.92
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone
SMILESO=C(c1nc(Br)cs1)C1CCCS1
InChIInChI=1S/C8H8BrNOS2/c9-6-4-13-8(10-6)7(11)5-2-1-3-12-5/h4-5H,1-3H2
InChIKeyNUYBDAXVMJUGOD-UHFFFAOYSA-N
XLogP2.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-2-cyclopropanecarbonyl-1,3-thiazole
CID 121553100
1-(4-Bromo-1,3-thiazol-2-yl)-3-methylbutan-1-one
CID 101522533
1-(4-Bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one
CID 11160645
1-(4-Bromo-1,3-thiazol-2-yl)nonan-1-one
CID 89816231
1-(4-Bromo-1,3-thiazol-2-yl)propane-1,2-dione
CID 118459109
1-(4-Bromo-1,3-thiazol-2-yl)propan-1-one
CID 15663801
(4-Bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone
CID 130901262
(4-Bromo-1,3-thiazol-2-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 130955878
1-(4-Bromo-1,3-thiazol-2-yl)-2-(thian-4-yl)ethanone
CID 130985308
1-(4-Bromothiazol-2-YL)-3,3-dimethylbutan-1-one
CID 131014440
1-(4-Bromo-1,3-thiazol-2-yl)-2-methylsulfanylethanone
CID 131122588
1-(4-Bromo-1,3-thiazol-2-yl)-2-cyclopropylethanone
CID 131123959

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone (CID 131014441) is (4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone is O=C(c1nc(Br)cs1)C1CCCS1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone?
The InChIKey is NUYBDAXVMJUGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS2/c9-6-4-13-8(10-6)7(11)5-2-1-3-12-5/h4-5H,1-3H2.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone?
(4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone has a molecular weight of 278.20 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 131014441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).