N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide

C14H14ClN3O2S2 — CID 18535055

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide (PubChem CID 18535055) has the molecular formula C14H14ClN3O2S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide
• PubChem CID: 18535055
• Molecular Formula: C14H14ClN3O2S2
• Molecular Weight: 355.87 g/mol
• Exact Mass: 355.02
• IUPAC Name: N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide
• SMILES: O=C(NC1CC2CCC1N2)c1ccc(Oc2cnc(Cl)s2)s1
• InChI: InChI=1S/C14H14ClN3O2S2/c15-14-16-6-12(22-14)20-11-4-3-10(21-11)13(19)18-9-5-7-1-2-8(9)17-7/h3-4,6-9,17H,1-2,5H2,(H,18,19)
• InChIKey: DZBOURNKMONNTM-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.87
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide?

The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide (CID 18535055) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide.

What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide?

The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide is O=C(NC1CC2CCC1N2)c1ccc(Oc2cnc(Cl)s2)s1.

What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide?

The InChIKey is DZBOURNKMONNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S2/c15-14-16-6-12(22-14)20-11-4-3-10(21-11)13(19)18-9-5-7-1-2-8(9)17-7/h3-4,6-9,17H,1-2,5H2,(H,18,19).

What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide?

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide is sourced from PubChem (CID 18535055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).