1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide

C26H34F2N4O3S2 — CID 170575480

About 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide

1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide (PubChem CID 170575480) has the molecular formula C26H34F2N4O3S2 and a molecular weight of 552.71 g/mol. Its IUPAC name is 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide.

Molecular Properties

• Compound Name: 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
• PubChem CID: 170575480
• Molecular Formula: C26H34F2N4O3S2
• Molecular Weight: 552.71 g/mol
• Exact Mass: 552.20
• IUPAC Name: 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
• SMILES: CC1CCCN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)S.Cc1ncsc1-c1ccc(CNC=O)c(F)c1
• InChI: InChI=1S/C14H23FN2O2S.C12H11FN2OS/c1-9-5-4-8-17(9)11(18)10(13(2,3)20)16-12(19)14(15)6-7-14;1-8-12(17-7-15-8)9-2-3-10(5-14-6-16)11(13)4-9/h9-10,20H,4-8H2,1-3H3,(H,16,19);2-4,6-7H,5H2,1H3,(H,14,16)
• InChIKey: FXXJPGLQAITPLI-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 91.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.71
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?

The IUPAC name of 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide (CID 170575480) is 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide.

What is the SMILES notation for 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?

The canonical SMILES for 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide is CC1CCCN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)S.Cc1ncsc1-c1ccc(CNC=O)c(F)c1.

What is the InChIKey of 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?

The InChIKey is FXXJPGLQAITPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S.C12H11FN2OS/c1-9-5-4-8-17(9)11(18)10(13(2,3)20)16-12(19)14(15)6-7-14;1-8-12(17-7-15-8)9-2-3-10(5-14-6-16)11(13)4-9/h9-10,20H,4-8H2,1-3H3,(H,16,19);2-4,6-7H,5H2,1H3,(H,14,16).

What are the key properties of 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?

1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide has a molecular weight of 552.71 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-N-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-sulfanylbutan-2-yl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide is sourced from PubChem (CID 170575480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).