(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

C19H17ClN2OS2 — CID 7795898

About (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 7795898) has the molecular formula C19H17ClN2OS2 and a molecular weight of 388.95 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

• Compound Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
• PubChem CID: 7795898
• Molecular Formula: C19H17ClN2OS2
• Molecular Weight: 388.95 g/mol
• Exact Mass: 388.05
• IUPAC Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
• SMILES: C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N1c2ccccc2C[C@H]1C
• InChI: InChI=1S/C19H17ClN2OS2/c1-11-9-13-5-3-4-6-16(13)22(11)18(23)12(2)24-19-21-15-10-14(20)7-8-17(15)25-19/h3-8,10-12H,9H2,1-2H3/t11-,12+/m1/s1
• InChIKey: JAQKNRLOJXPWBO-NEPJUHHUSA-N
• XLogP: 5.41
• TPSA: 33.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.95
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

The IUPAC name of (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 7795898) is (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

What is the SMILES notation for (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

The canonical SMILES for (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N1c2ccccc2C[C@H]1C.

What is the InChIKey of (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

The InChIKey is JAQKNRLOJXPWBO-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H17ClN2OS2/c1-11-9-13-5-3-4-6-16(13)22(11)18(23)12(2)24-19-21-15-10-14(20)7-8-17(15)25-19/h3-8,10-12H,9H2,1-2H3/t11-,12+/m1/s1.

What are the key properties of (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 388.95 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 7795898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).