N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide

C15H17N3O3S2 — CID 70026070

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide (PubChem CID 70026070) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide
• PubChem CID: 70026070
• Molecular Formula: C15H17N3O3S2
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.07
• IUPAC Name: N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide
• SMILES: COc1ncc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)o1
• InChI: InChI=1S/C15H17N3O3S2/c1-20-15-16-7-12(21-15)23-13-5-4-11(22-13)14(19)18-10-6-8-2-3-9(10)17-8/h4-5,7-10,17H,2-3,6H2,1H3,(H,18,19)/t8-,9+,10-/m1/s1
• InChIKey: CVJQMKHEHAVHGV-KXUCPTDWSA-N
• XLogP: 2.52
• TPSA: 76.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide?

The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide (CID 70026070) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide is COc1ncc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)o1.

What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide?

The InChIKey is CVJQMKHEHAVHGV-KXUCPTDWSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-20-15-16-7-12(21-15)23-13-5-4-11(22-13)14(19)18-10-6-8-2-3-9(10)17-8/h4-5,7-10,17H,2-3,6H2,1H3,(H,18,19)/t8-,9+,10-/m1/s1.

What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide?

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide is sourced from PubChem (CID 70026070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).