N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

C18H13F2N3O2S2 — CID 90526936

About N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 90526936) has the molecular formula C18H13F2N3O2S2 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• PubChem CID: 90526936
• Molecular Formula: C18H13F2N3O2S2
• Molecular Weight: 405.45 g/mol
• Exact Mass: 405.04
• IUPAC Name: N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)c1c(F)cccc1F)CC2)c1cccs1
• InChI: InChI=1S/C18H13F2N3O2S2/c19-10-3-1-4-11(20)15(10)17(25)23-7-6-12-14(9-23)27-18(21-12)22-16(24)13-5-2-8-26-13/h1-5,8H,6-7,9H2,(H,21,22,24)
• InChIKey: IGYVSNNXPCWCAW-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.45
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 90526936) is N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1c(F)cccc1F)CC2)c1cccs1.

What is the InChIKey of N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The InChIKey is IGYVSNNXPCWCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2S2/c19-10-3-1-4-11(20)15(10)17(25)23-7-6-12-14(9-23)27-18(21-12)22-16(24)13-5-2-8-26-13/h1-5,8H,6-7,9H2,(H,21,22,24).

What are the key properties of N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90526936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).