5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

C17H15F2N5OS2 — CID 70975198

About 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 70975198) has the molecular formula C17H15F2N5OS2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 70975198
• Molecular Formula: C17H15F2N5OS2
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.07
• IUPAC Name: 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
• SMILES: NC(=O)c1ccc(-c2nnc(NCC3(c4ncccc4F)CC(F)C3)s2)s1
• InChI: InChI=1S/C17H15F2N5OS2/c18-9-6-17(7-9,13-10(19)2-1-5-21-13)8-22-16-24-23-15(27-16)12-4-3-11(26-12)14(20)25/h1-5,9H,6-8H2,(H2,20,25)(H,22,24)
• InChIKey: JWXJVKFRDHPBJB-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 70975198) is 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is NC(=O)c1ccc(-c2nnc(NCC3(c4ncccc4F)CC(F)C3)s2)s1.

What is the InChIKey of 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is JWXJVKFRDHPBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5OS2/c18-9-6-17(7-9,13-10(19)2-1-5-21-13)8-22-16-24-23-15(27-16)12-4-3-11(26-12)14(20)25/h1-5,9H,6-8H2,(H2,20,25)(H,22,24).

What are the key properties of 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?

5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 70975198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).