1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole

C23H15N3S2 — CID 134843311

IUPAC1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(c1)sc1nc(-c3ccccc3)c(-c3nc4ccccc4s3)n12
InChIInChI=1S/C23H15N3S2/c1-14-11-12-17-19(13-14)28-23-25-20(15-7-3-2-4-8-15)21(26(17)23)22-24-16-9-5-6-10-18(16)27-22/h2-13H,1H3
InChIKeyDSWATWQQFCQMTE-UHFFFAOYSA-N
MW397.53 g/mol
LogP6.80
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole

1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 134843311) has the molecular formula C23H15N3S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID134843311
Molecular FormulaC23H15N3S2
Molecular Weight397.53 g/mol
Exact Mass397.07
IUPAC Name1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(c1)sc1nc(-c3ccccc3)c(-c3nc4ccccc4s3)n12
InChIInChI=1S/C23H15N3S2/c1-14-11-12-17-19(13-14)28-23-25-20(15-7-3-2-4-8-15)21(26(17)23)22-24-16-9-5-6-10-18(16)27-22/h2-13H,1H3
InChIKeyDSWATWQQFCQMTE-UHFFFAOYSA-N
XLogP6.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole (CID 134843311) is 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole is Cc1ccc2c(c1)sc1nc(-c3ccccc3)c(-c3nc4ccccc4s3)n12.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is DSWATWQQFCQMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3S2/c1-14-11-12-17-19(13-14)28-23-25-20(15-7-3-2-4-8-15)21(26(17)23)22-24-16-9-5-6-10-18(16)27-22/h2-13H,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 397.53 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-6-methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 134843311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).