N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide

C18H18N4O2S2 — CID 17450623

About N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 17450623) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide
• PubChem CID: 17450623
• Molecular Formula: C18H18N4O2S2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.09
• IUPAC Name: N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide
• SMILES: O=C(CNC(=O)c1cccs1)Nc1ccc2nc(N3CCCC3)sc2c1
• InChI: InChI=1S/C18H18N4O2S2/c23-16(11-19-17(24)14-4-3-9-25-14)20-12-5-6-13-15(10-12)26-18(21-13)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,19,24)(H,20,23)
• InChIKey: DOAPIWXYCZZMIX-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide?

The IUPAC name of N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide (CID 17450623) is N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)Nc1ccc2nc(N3CCCC3)sc2c1.

What is the InChIKey of N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide?

The InChIKey is DOAPIWXYCZZMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c23-16(11-19-17(24)14-4-3-9-25-14)20-12-5-6-13-15(10-12)26-18(21-13)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,19,24)(H,20,23).

What are the key properties of N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide?

N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17450623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).