(2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C21H18N4OS — CID 164694060

About (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 164694060) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
• PubChem CID: 164694060
• Molecular Formula: C21H18N4OS
• Molecular Weight: 374.47 g/mol
• Exact Mass: 374.12
• IUPAC Name: (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
• SMILES: Cc1nc2ccc(C(=O)N3Cc4[nH]cnc4C(c4ccccc4)C3)cc2s1
• InChI: InChI=1S/C21H18N4OS/c1-13-24-17-8-7-15(9-19(17)27-13)21(26)25-10-16(14-5-3-2-4-6-14)20-18(11-25)22-12-23-20/h2-9,12,16H,10-11H2,1H3,(H,22,23)
• InChIKey: XBQUVIWQGOIVIC-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.47
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?

The IUPAC name of (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 164694060) is (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

What is the SMILES notation for (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?

The canonical SMILES for (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cc1nc2ccc(C(=O)N3Cc4[nH]cnc4C(c4ccccc4)C3)cc2s1.

What is the InChIKey of (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?

The InChIKey is XBQUVIWQGOIVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-13-24-17-8-7-15(9-19(17)27-13)21(26)25-10-16(14-5-3-2-4-6-14)20-18(11-25)22-12-23-20/h2-9,12,16H,10-11H2,1H3,(H,22,23).

What are the key properties of (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?

(2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 374.47 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 164694060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).