6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile

C6H3N3S2 — CID 82363770

IUPAC6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESN#Cc1c(S)nc2sccn12
InChIInChI=1S/C6H3N3S2/c7-3-4-5(10)8-6-9(4)1-2-11-6/h1-2,10H
InChIKeySFEDEWWHWZPGIR-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.56
Rot. Bonds

About 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile

6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile (PubChem CID 82363770) has the molecular formula C6H3N3S2 and a molecular weight of 181.25 g/mol. Its IUPAC name is 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile.

Molecular Properties

Compound Name6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
PubChem CID82363770
Molecular FormulaC6H3N3S2
Molecular Weight181.25 g/mol
Exact Mass180.98
IUPAC Name6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESN#Cc1c(S)nc2sccn12
InChIInChI=1S/C6H3N3S2/c7-3-4-5(10)8-6-9(4)1-2-11-6/h1-2,10H
InChIKeySFEDEWWHWZPGIR-UHFFFAOYSA-N
XLogP1.56
TPSA41.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The IUPAC name of 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile (CID 82363770) is 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile.
What is the SMILES notation for 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The canonical SMILES for 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile is N#Cc1c(S)nc2sccn12.
What is the InChIKey of 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The InChIKey is SFEDEWWHWZPGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3S2/c7-3-4-5(10)8-6-9(4)1-2-11-6/h1-2,10H.
What are the key properties of 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile?
6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile has a molecular weight of 181.25 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile is sourced from PubChem (CID 82363770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).