1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine

C14H20FN5S2 — CID 128972455

About 1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine

1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 128972455) has the molecular formula C14H20FN5S2 and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine
• PubChem CID: 128972455
• Molecular Formula: C14H20FN5S2
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.11
• IUPAC Name: 1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine
• SMILES: Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1csnn1
• InChI: InChI=1S/C14H20FN5S2/c1-10-14(21-9-16-10)7-20-4-11(15)3-13(20)6-19(2)5-12-8-22-18-17-12/h8-9,11,13H,3-7H2,1-2H3/t11-,13-/m0/s1
• InChIKey: MOJJYOAJLCIBSV-AAEUAGOBSA-N
• XLogP: 2.35
• TPSA: 45.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine (CID 128972455) is 1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine.

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

The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine is Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1csnn1.

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

The InChIKey is MOJJYOAJLCIBSV-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20FN5S2/c1-10-14(21-9-16-10)7-20-4-11(15)3-13(20)6-19(2)5-12-8-22-18-17-12/h8-9,11,13H,3-7H2,1-2H3/t11-,13-/m0/s1.

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

1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 341.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 128972455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).