4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide

C8H10BrNO2S2 — CID 117259744

IUPAC4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cnc(Br)s2)CC1
InChIInChI=1S/C8H10BrNO2S2/c9-8-10-5-7(13-8)6-1-3-14(11,12)4-2-6/h5-6H,1-4H2
InChIKeyFZSMMWBOPMDRJC-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.20
Rot. Bonds1

About 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide

4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide (PubChem CID 117259744) has the molecular formula C8H10BrNO2S2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide
PubChem CID117259744
Molecular FormulaC8H10BrNO2S2
Molecular Weight296.21 g/mol
Exact Mass294.93
IUPAC Name4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cnc(Br)s2)CC1
InChIInChI=1S/C8H10BrNO2S2/c9-8-10-5-7(13-8)6-1-3-14(11,12)4-2-6/h5-6H,1-4H2
InChIKeyFZSMMWBOPMDRJC-UHFFFAOYSA-N
XLogP2.20
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide
CID 117260015
3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide
CID 117259132
1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089949
4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide
CID 134601073
2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole
CID 178076419
2-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089963
6-(1,1-dioxothian-4-yl)pyridine-3-carboxylic acid
CID 115047543
[2-(1,1-dioxothian-4-yl)-1H-imidazol-5-yl]methanamine
CID 115037328
[5-(1,1-dioxothian-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 115046104
1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115089834
2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol
CID 115045575
4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105151

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide (CID 117259744) is 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide is O=S1(=O)CCC(c2cnc(Br)s2)CC1.
What is the InChIKey of 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide?
The InChIKey is FZSMMWBOPMDRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S2/c9-8-10-5-7(13-8)6-1-3-14(11,12)4-2-6/h5-6H,1-4H2.
What are the key properties of 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide?
4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide has a molecular weight of 296.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-1,3-thiazol-5-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117259744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).