(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

C₁₆H₂₃N₃O₃S — CID 9365397

About (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 9365397) has the molecular formula C₁₆H₂₃N₃O₃S and a molecular weight of 337.45 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 9365397
• Molecular Formula: C₁₆H₂₃N₃O₃S
• Molecular Weight: 337.45 g/mol
• Exact Mass: 337.15
• IUPAC Name: (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: COC[C@H](C)N1C[C@H](C(=O)Nc2nc3c(s2)CCCC3)CC1=O
• InChI: InChI=1S/C16H23N3O3S/c1-10(9-22-2)19-8-11(7-14(19)20)15(21)18-16-17-12-5-3-4-6-13(12)23-16/h10-11H,3-9H2,1-2H3,(H,17,18,21)/t10-,11+/m0/s1
• InChIKey: ZBPQXPYKINDJNC-WDEREUQCSA-N
• XLogP: 1.84
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.45
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide (CID 9365397) is (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide is COC[C@H](C)N1C[C@H](C(=O)Nc2nc3c(s2)CCCC3)CC1=O.

What is the InChIKey of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?

The InChIKey is ZBPQXPYKINDJNC-WDEREUQCSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-10(9-22-2)19-8-11(7-14(19)20)15(21)18-16-17-12-5-3-4-6-13(12)23-16/h10-11H,3-9H2,1-2H3,(H,17,18,21)/t10-,11+/m0/s1.

What are the key properties of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide?

(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9365397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 9365397 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.