4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide

C10H12BrN3O2S2 — CID 107080490

IUPAC4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc3sccn3c2CBr)CC1
InChIInChI=1S/C10H12BrN3O2S2/c11-7-8-9(12-10-14(8)1-4-17-10)13-2-5-18(15,16)6-3-13/h1,4H,2-3,5-7H2
InChIKeyTZEQPVDCTROBNC-UHFFFAOYSA-N
MW350.26 g/mol
LogP1.53
Rot. Bonds2

About 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide

4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 107080490) has the molecular formula C10H12BrN3O2S2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID107080490
Molecular FormulaC10H12BrN3O2S2
Molecular Weight350.26 g/mol
Exact Mass348.96
IUPAC Name4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc3sccn3c2CBr)CC1
InChIInChI=1S/C10H12BrN3O2S2/c11-7-8-9(12-10-14(8)1-4-17-10)13-2-5-18(15,16)6-3-13/h1,4H,2-3,5-7H2
InChIKeyTZEQPVDCTROBNC-UHFFFAOYSA-N
XLogP1.53
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide
CID 54977364
5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 107084069
[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 62931604
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine
CID 107080327
1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
CID 107084284
(6-thiomorpholin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476395
[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 16779989
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethyl-1,4-oxazepane
CID 114218572
1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
CID 81103549
2-[6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63783269
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211
2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55236378

Frequently Asked Questions

What is the IUPAC name of 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide (CID 107080490) is 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nc3sccn3c2CBr)CC1.
What is the InChIKey of 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is TZEQPVDCTROBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S2/c11-7-8-9(12-10-14(8)1-4-17-10)13-2-5-18(15,16)6-3-13/h1,4H,2-3,5-7H2.
What are the key properties of 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide?
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 350.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 107080490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).