8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole

C20H18N2S — CID 19209823

IUPAC8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESCc1cccc2sc3nc(-c4ccc5c(c4)CCCC5)cn3c12
InChIInChI=1S/C20H18N2S/c1-13-5-4-8-18-19(13)22-12-17(21-20(22)23-18)16-10-9-14-6-2-3-7-15(14)11-16/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyGKTPPNJZQSBJPP-UHFFFAOYSA-N
MW318.45 g/mol
LogP5.40
Rot. Bonds1

About 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole

8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209823) has the molecular formula C20H18N2S and a molecular weight of 318.45 g/mol. Its IUPAC name is 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID19209823
Molecular FormulaC20H18N2S
Molecular Weight318.45 g/mol
Exact Mass318.12
IUPAC Name8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESCc1cccc2sc3nc(-c4ccc5c(c4)CCCC5)cn3c12
InChIInChI=1S/C20H18N2S/c1-13-5-4-8-18-19(13)22-12-17(21-20(22)23-18)16-10-9-14-6-2-3-7-15(14)11-16/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyGKTPPNJZQSBJPP-UHFFFAOYSA-N
XLogP5.40
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole (CID 19209823) is 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole is Cc1cccc2sc3nc(-c4ccc5c(c4)CCCC5)cn3c12.
What is the InChIKey of 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is GKTPPNJZQSBJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2S/c1-13-5-4-8-18-19(13)22-12-17(21-20(22)23-18)16-10-9-14-6-2-3-7-15(14)11-16/h4-5,8-12H,2-3,6-7H2,1H3.
What are the key properties of 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole?
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 318.45 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).