2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole

C13H9N3S3 — CID 747987

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole
SMILESc1ccc2sc(SCc3cn4ccsc4n3)nc2c1
InChIInChI=1S/C13H9N3S3/c1-2-4-11-10(3-1)15-13(19-11)18-8-9-7-16-5-6-17-12(16)14-9/h1-7H,8H2
InChIKeyAQDXZCMAHMARDK-UHFFFAOYSA-N
MW303.44 g/mol
LogP4.30
Rot. Bonds3

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole (PubChem CID 747987) has the molecular formula C13H9N3S3 and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole
PubChem CID747987
Molecular FormulaC13H9N3S3
Molecular Weight303.44 g/mol
Exact Mass303.00
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole
SMILESc1ccc2sc(SCc3cn4ccsc4n3)nc2c1
InChIInChI=1S/C13H9N3S3/c1-2-4-11-10(3-1)15-13(19-11)18-8-9-7-16-5-6-17-12(16)14-9/h1-7H,8H2
InChIKeyAQDXZCMAHMARDK-UHFFFAOYSA-N
XLogP4.30
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole (CID 747987) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole is c1ccc2sc(SCc3cn4ccsc4n3)nc2c1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole?
The InChIKey is AQDXZCMAHMARDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S3/c1-2-4-11-10(3-1)15-13(19-11)18-8-9-7-16-5-6-17-12(16)14-9/h1-7H,8H2.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole has a molecular weight of 303.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzothiazole is sourced from PubChem (CID 747987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).