6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine

C17H20N4S — CID 15171535

IUPAC6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCC1CCn2cc(CCc3ccc4nc(N)sc4c3)nc2C1
InChIInChI=1S/C17H20N4S/c1-11-6-7-21-10-13(19-16(21)8-11)4-2-12-3-5-14-15(9-12)22-17(18)20-14/h3,5,9-11H,2,4,6-8H2,1H3,(H2,18,20)
InChIKeyITIBLWGBCZBMSZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.44
Rot. Bonds3

About 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine

6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 15171535) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID15171535
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCC1CCn2cc(CCc3ccc4nc(N)sc4c3)nc2C1
InChIInChI=1S/C17H20N4S/c1-11-6-7-21-10-13(19-16(21)8-11)4-2-12-3-5-14-15(9-12)22-17(18)20-14/h3,5,9-11H,2,4,6-8H2,1H3,(H2,18,20)
InChIKeyITIBLWGBCZBMSZ-UHFFFAOYSA-N
XLogP3.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine (CID 15171535) is 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine is CC1CCn2cc(CCc3ccc4nc(N)sc4c3)nc2C1.
What is the InChIKey of 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is ITIBLWGBCZBMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-11-6-7-21-10-13(19-16(21)8-11)4-2-12-3-5-14-15(9-12)22-17(18)20-14/h3,5,9-11H,2,4,6-8H2,1H3,(H2,18,20).
What are the key properties of 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine?
6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 312.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 15171535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).