5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine

C15H21FN4S2 — CID 120905352

About 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine

5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120905352) has the molecular formula C15H21FN4S2 and a molecular weight of 340.49 g/mol. Its IUPAC name is 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
• PubChem CID: 120905352
• Molecular Formula: C15H21FN4S2
• Molecular Weight: 340.49 g/mol
• Exact Mass: 340.12
• IUPAC Name: 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
• SMILES: CN(Cc1cnc(N)s1)C[C@@H]1C[C@H](F)CN1Cc1cccs1
• InChI: InChI=1S/C15H21FN4S2/c1-19(9-14-6-18-15(17)22-14)8-12-5-11(16)7-20(12)10-13-3-2-4-21-13/h2-4,6,11-12H,5,7-10H2,1H3,(H2,17,18)/t11-,12-/m0/s1
• InChIKey: INAHFOQCIVCZHT-RYUDHWBXSA-N
• XLogP: 2.83
• TPSA: 45.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.49
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?

The IUPAC name of 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 120905352) is 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?

The canonical SMILES for 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine is CN(Cc1cnc(N)s1)C[C@@H]1C[C@H](F)CN1Cc1cccs1.

What is the InChIKey of 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?

The InChIKey is INAHFOQCIVCZHT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21FN4S2/c1-19(9-14-6-18-15(17)22-14)8-12-5-11(16)7-20(12)10-13-3-2-4-21-13/h2-4,6,11-12H,5,7-10H2,1H3,(H2,17,18)/t11-,12-/m0/s1.

What are the key properties of 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?

5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 340.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120905352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).