4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole

C14H12N4O2S3 — CID 118070611

IUPAC4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
SMILESCOc1cc(OC)c2nc(-c3cn4nc(SC)sc4n3)sc2c1
InChIInChI=1S/C14H12N4O2S3/c1-19-7-4-9(20-2)11-10(5-7)22-12(16-11)8-6-18-13(15-8)23-14(17-18)21-3/h4-6H,1-3H3
InChIKeyFPWNOSOZFXVXKC-UHFFFAOYSA-N
MW364.48 g/mol
LogP3.81
Rot. Bonds4

About 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole

4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole (PubChem CID 118070611) has the molecular formula C14H12N4O2S3 and a molecular weight of 364.48 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
PubChem CID118070611
Molecular FormulaC14H12N4O2S3
Molecular Weight364.48 g/mol
Exact Mass364.01
IUPAC Name4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
SMILESCOc1cc(OC)c2nc(-c3cn4nc(SC)sc4n3)sc2c1
InChIInChI=1S/C14H12N4O2S3/c1-19-7-4-9(20-2)11-10(5-7)22-12(16-11)8-6-18-13(15-8)23-14(17-18)21-3/h4-6H,1-3H3
InChIKeyFPWNOSOZFXVXKC-UHFFFAOYSA-N
XLogP3.81
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
The IUPAC name of 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole (CID 118070611) is 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole.
What is the SMILES notation for 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
The canonical SMILES for 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole is COc1cc(OC)c2nc(-c3cn4nc(SC)sc4n3)sc2c1.
What is the InChIKey of 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
The InChIKey is FPWNOSOZFXVXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S3/c1-19-7-4-9(20-2)11-10(5-7)22-12(16-11)8-6-18-13(15-8)23-14(17-18)21-3/h4-6H,1-3H3.
What are the key properties of 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole has a molecular weight of 364.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole is sourced from PubChem (CID 118070611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).