4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole

C16H13N5OS — CID 56717711

IUPAC4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2nccn2-c2ccc3c(c2)N2CCN=C2S3)co1
InChIInChI=1S/C16H13N5OS/c1-10-19-12(9-22-10)15-17-4-6-20(15)11-2-3-14-13(8-11)21-7-5-18-16(21)23-14/h2-4,6,8-9H,5,7H2,1H3
InChIKeyIUNDCPAFLNQRKV-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.12
Rot. Bonds2

About 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole

4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole (PubChem CID 56717711) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole
PubChem CID56717711
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2nccn2-c2ccc3c(c2)N2CCN=C2S3)co1
InChIInChI=1S/C16H13N5OS/c1-10-19-12(9-22-10)15-17-4-6-20(15)11-2-3-14-13(8-11)21-7-5-18-16(21)23-14/h2-4,6,8-9H,5,7H2,1H3
InChIKeyIUNDCPAFLNQRKV-UHFFFAOYSA-N
XLogP3.12
TPSA59.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole (CID 56717711) is 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole is Cc1nc(-c2nccn2-c2ccc3c(c2)N2CCN=C2S3)co1.
What is the InChIKey of 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole?
The InChIKey is IUNDCPAFLNQRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-10-19-12(9-22-10)15-17-4-6-20(15)11-2-3-14-13(8-11)21-7-5-18-16(21)23-14/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole?
4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole has a molecular weight of 323.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazol-2-yl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 56717711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).