7-benzylsulfanylimidazo[5,1-b][1,3]thiazole

C12H10N2S2 — CID 22631537

IUPAC7-benzylsulfanylimidazo[5,1-b][1,3]thiazole
SMILESc1ccc(CSc2ncn3ccsc23)cc1
InChIInChI=1S/C12H10N2S2/c1-2-4-10(5-3-1)8-16-11-12-14(9-13-11)6-7-15-12/h1-7,9H,8H2
InChIKeyWUFYDYDCSGZDSP-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.69
Rot. Bonds3

About 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole

7-benzylsulfanylimidazo[5,1-b][1,3]thiazole (PubChem CID 22631537) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name7-benzylsulfanylimidazo[5,1-b][1,3]thiazole
PubChem CID22631537
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name7-benzylsulfanylimidazo[5,1-b][1,3]thiazole
SMILESc1ccc(CSc2ncn3ccsc23)cc1
InChIInChI=1S/C12H10N2S2/c1-2-4-10(5-3-1)8-16-11-12-14(9-13-11)6-7-15-12/h1-7,9H,8H2
InChIKeyWUFYDYDCSGZDSP-UHFFFAOYSA-N
XLogP3.69
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(fluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazole
CID 22632038
4,7-bis(benzylsulfanyl)-[1,3]thiazolo[4,5-d]pyridazine
CID 6406876
6-benzylsulfanyl-5-methyl-1,2,4-triazine
CID 13433503
N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63805227
2-benzylsulfanylimidazol-1-amine
CID 22177467
1-(5-benzylsulfanyl-3-methylimidazol-4-yl)-2-bromoethanone
CID 19810956
4-benzylsulfanyl-1-methylimidazole
CID 19810957
2-(3-benzylsulfanyl-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole
CID 136949322
2-benzylsulfanyl-3-(tetrazol-1-yl)pyridine
CID 117058714
1-benzylsulfanyl-5-bromoisoquinoline
CID 168877814
6-benzylsulfanyl-7-methylpurin-2-amine
CID 166565035
6-benzylsulfanyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole;formic acid
CID 69201511

Frequently Asked Questions

What is the IUPAC name of 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole?
The IUPAC name of 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole (CID 22631537) is 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole is c1ccc(CSc2ncn3ccsc23)cc1.
What is the InChIKey of 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole?
The InChIKey is WUFYDYDCSGZDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c1-2-4-10(5-3-1)8-16-11-12-14(9-13-11)6-7-15-12/h1-7,9H,8H2.
What are the key properties of 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole?
7-benzylsulfanylimidazo[5,1-b][1,3]thiazole has a molecular weight of 246.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylsulfanylimidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 22631537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).