2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C30H28N4S2 — CID 139086672

IUPAC2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1.c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/2C15H14N2S/c2*1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h2*1-3,6-7,10H,4-5,8-9H2
InChIKeyNDRQGUUZUSBJPC-UHFFFAOYSA-N
MW508.72 g/mol
LogP7.88
Rot. Bonds2

About 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 139086672) has the molecular formula C30H28N4S2 and a molecular weight of 508.72 g/mol. Its IUPAC name is 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID139086672
Molecular FormulaC30H28N4S2
Molecular Weight508.72 g/mol
Exact Mass508.18
IUPAC Name2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1.c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/2C15H14N2S/c2*1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h2*1-3,6-7,10H,4-5,8-9H2
InChIKeyNDRQGUUZUSBJPC-UHFFFAOYSA-N
XLogP7.88
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.72
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 139086672) is 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1.c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1.
What is the InChIKey of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is NDRQGUUZUSBJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14N2S/c2*1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h2*1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 508.72 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 139086672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).