(7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C17H19ClN4S — CID 97229799

About (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

(7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 97229799) has the molecular formula C17H19ClN4S and a molecular weight of 346.89 g/mol. Its IUPAC name is (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

• Compound Name: (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
• PubChem CID: 97229799
• Molecular Formula: C17H19ClN4S
• Molecular Weight: 346.89 g/mol
• Exact Mass: 346.10
• IUPAC Name: (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
• SMILES: CCc1nc2c(s1)[C@@H](NCc1cn3cc(Cl)ccc3n1)CCC2
• InChI: InChI=1S/C17H19ClN4S/c1-2-16-21-14-5-3-4-13(17(14)23-16)19-8-12-10-22-9-11(18)6-7-15(22)20-12/h6-7,9-10,13,19H,2-5,8H2,1H3/t13-/m0/s1
• InChIKey: FNXDAXSPPWMXNK-ZDUSSCGKSA-N
• XLogP: 4.17
• TPSA: 42.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.89
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?

The IUPAC name of (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 97229799) is (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

What is the SMILES notation for (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?

The canonical SMILES for (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCc1nc2c(s1)[C@@H](NCc1cn3cc(Cl)ccc3n1)CCC2.

What is the InChIKey of (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?

The InChIKey is FNXDAXSPPWMXNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19ClN4S/c1-2-16-21-14-5-3-4-13(17(14)23-16)19-8-12-10-22-9-11(18)6-7-15(22)20-12/h6-7,9-10,13,19H,2-5,8H2,1H3/t13-/m0/s1.

What are the key properties of (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?

(7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 346.89 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 97229799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).