2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C13H12ClN3S2 — CID 55238545

IUPAC2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C13H12ClN3S2/c14-9-1-3-10(4-2-9)19-12-11(5-6-15)17-7-8-18-13(17)16-12/h1-4,7-8H,5-6,15H2
InChIKeyBZROJNILPCVQTB-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.70
Rot. Bonds4

About 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 55238545) has the molecular formula C13H12ClN3S2 and a molecular weight of 309.85 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID55238545
Molecular FormulaC13H12ClN3S2
Molecular Weight309.85 g/mol
Exact Mass309.02
IUPAC Name2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C13H12ClN3S2/c14-9-1-3-10(4-2-9)19-12-11(5-6-15)17-7-8-18-13(17)16-12/h1-4,7-8H,5-6,15H2
InChIKeyBZROJNILPCVQTB-UHFFFAOYSA-N
XLogP3.70
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 55238545) is 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is NCCc1c(Sc2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is BZROJNILPCVQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S2/c14-9-1-3-10(4-2-9)19-12-11(5-6-15)17-7-8-18-13(17)16-12/h1-4,7-8H,5-6,15H2.
What are the key properties of 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 309.85 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 55238545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).