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

C7H9BrN2O2S2 — CID 79399639

IUPAC4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C7H9BrN2O2S2/c8-6-5-13-7(9-6)10-1-3-14(11,12)4-2-10/h5H,1-4H2
InChIKeyFFUMCSPJBCVBTC-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.14
Rot. Bonds1

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

4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 79399639) has the molecular formula C7H9BrN2O2S2 and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID79399639
Molecular FormulaC7H9BrN2O2S2
Molecular Weight297.20 g/mol
Exact Mass295.93
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C7H9BrN2O2S2/c8-6-5-13-7(9-6)10-1-3-14(11,12)4-2-10/h5H,1-4H2
InChIKeyFFUMCSPJBCVBTC-UHFFFAOYSA-N
XLogP1.14
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide (CID 79399639) is 4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is FFUMCSPJBCVBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S2/c8-6-5-13-7(9-6)10-1-3-14(11,12)4-2-10/h5H,1-4H2.
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 297.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-thiazol-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 79399639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).