3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide

C10H11BrN2O2S3 — CID 2999876

IUPAC3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(SCc2nc3sccn3c2Br)C1
InChIInChI=1S/C10H11BrN2O2S3/c11-9-8(12-10-13(9)2-3-16-10)5-17-7-1-4-18(14,15)6-7/h2-3,7H,1,4-6H2
InChIKeyYPTQAUIKTRZNOW-UHFFFAOYSA-N
MW367.32 g/mol
LogP2.58
Rot. Bonds3

About 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide

3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide (PubChem CID 2999876) has the molecular formula C10H11BrN2O2S3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide
PubChem CID2999876
Molecular FormulaC10H11BrN2O2S3
Molecular Weight367.32 g/mol
Exact Mass365.92
IUPAC Name3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(SCc2nc3sccn3c2Br)C1
InChIInChI=1S/C10H11BrN2O2S3/c11-9-8(12-10-13(9)2-3-16-10)5-17-7-1-4-18(14,15)6-7/h2-3,7H,1,4-6H2
InChIKeyYPTQAUIKTRZNOW-UHFFFAOYSA-N
XLogP2.58
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide with MolForge

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Related Compounds

5-Bromo-6-methylimidazo(2,1-b)(1,3)thiazole
CID 700760
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanesulfonamide
CID 3236842
6-Methylimidazo[2,1-b][1,3]thiazole-2-sulfonamide;hydrobromide
CID 45264018
6-(Bromomethyl)imidazo[2,1-b][1,3]thiazole hydrobromide
CID 44654521
6-(Cyclopentylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 4278383
6-(Bromomethyl)imidazo[2,1-b][1,3]thiazole
CID 699727
Imidazo[2,1-b][1,3]thiazol-6-ylmethyl diethyldithiocarbamate
CID 598068
5-Bromo-6-(bromomethyl)imidazo[2,1-b]thiazole
CID 14342846
{2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methanesulfonyl fluoride
CID 165868578
6-Methylimidazo[2,1-b][1,3]thiazole-5-sulfonyl fluoride
CID 165869355
{6-Methylimidazo[2,1-b][1,3]thiazol-5-yl}methanesulfonyl fluoride
CID 165871027
3-(6-Methylimidazo[2,1-b][1,3]thiazol-4-ium-7-yl)propane-1-sulfonate
CID 2866621

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide (CID 2999876) is 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide is O=S1(=O)CCC(SCc2nc3sccn3c2Br)C1.
What is the InChIKey of 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide?
The InChIKey is YPTQAUIKTRZNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S3/c11-9-8(12-10-13(9)2-3-16-10)5-17-7-1-4-18(14,15)6-7/h2-3,7H,1,4-6H2.
What are the key properties of 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide?
3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide has a molecular weight of 367.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromoimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]thiolane 1,1-dioxide is sourced from PubChem (CID 2999876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).