5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

C15H20FN5S — CID 139500286

About 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 139500286) has the molecular formula C15H20FN5S and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 139500286
• Molecular Formula: C15H20FN5S
• Molecular Weight: 321.43 g/mol
• Exact Mass: 321.14
• IUPAC Name: 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
• SMILES: CNc1ncc(CN2CCC(C)(Cc3ncc(F)cn3)C2)s1
• InChI: InChI=1S/C15H20FN5S/c1-15(5-13-18-6-11(16)7-19-13)3-4-21(10-15)9-12-8-20-14(17-2)22-12/h6-8H,3-5,9-10H2,1-2H3,(H,17,20)
• InChIKey: CSWTVRKZFMWPJI-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 53.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.43
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?

The IUPAC name of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 139500286) is 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?

The canonical SMILES for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1ncc(CN2CCC(C)(Cc3ncc(F)cn3)C2)s1.

What is the InChIKey of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?

The InChIKey is CSWTVRKZFMWPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5S/c1-15(5-13-18-6-11(16)7-19-13)3-4-21(10-15)9-12-8-20-14(17-2)22-12/h6-8H,3-5,9-10H2,1-2H3,(H,17,20).

What are the key properties of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?

5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 321.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139500286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).