2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C15H13ClN2S — CID 115280232

IUPAC2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESClc1cccc(-c2cn3c4c(sc3n2)CCCC4)c1
InChIInChI=1S/C15H13ClN2S/c16-11-5-3-4-10(8-11)12-9-18-13-6-1-2-7-14(13)19-15(18)17-12/h3-5,8-9H,1-2,6-7H2
InChIKeyICSKYAVCMVGROO-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.59
Rot. Bonds1

About 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 115280232) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID115280232
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESClc1cccc(-c2cn3c4c(sc3n2)CCCC4)c1
InChIInChI=1S/C15H13ClN2S/c16-11-5-3-4-10(8-11)12-9-18-13-6-1-2-7-14(13)19-15(18)17-12/h3-5,8-9H,1-2,6-7H2
InChIKeyICSKYAVCMVGROO-UHFFFAOYSA-N
XLogP4.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 115280232) is 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is Clc1cccc(-c2cn3c4c(sc3n2)CCCC4)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is ICSKYAVCMVGROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-11-5-3-4-10(8-11)12-9-18-13-6-1-2-7-14(13)19-15(18)17-12/h3-5,8-9H,1-2,6-7H2.
What are the key properties of 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 288.80 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 115280232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).