5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

C17H17N3O2S2 — CID 31105543

About 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 31105543) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
• PubChem CID: 31105543
• Molecular Formula: C17H17N3O2S2
• Molecular Weight: 359.48 g/mol
• Exact Mass: 359.08
• IUPAC Name: 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
• SMILES: O=C(Nc1nccs1)c1ccc([C@H]2CCCN2Cc2ccco2)s1
• InChI: InChI=1S/C17H17N3O2S2/c21-16(19-17-18-7-10-23-17)15-6-5-14(24-15)13-4-1-8-20(13)11-12-3-2-9-22-12/h2-3,5-7,9-10,13H,1,4,8,11H2,(H,18,19,21)/t13-/m1/s1
• InChIKey: KPPPDJVXWFCVGD-CYBMUJFWSA-N
• XLogP: 4.39
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.48
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?

The IUPAC name of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 31105543) is 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

What is the SMILES notation for 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?

The canonical SMILES for 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nccs1)c1ccc([C@H]2CCCN2Cc2ccco2)s1.

What is the InChIKey of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?

The InChIKey is KPPPDJVXWFCVGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-16(19-17-18-7-10-23-17)15-6-5-14(24-15)13-4-1-8-20(13)11-12-3-2-9-22-12/h2-3,5-7,9-10,13H,1,4,8,11H2,(H,18,19,21)/t13-/m1/s1.

What are the key properties of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?

5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 31105543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).