5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine

C15H17FN6S — CID 134707806

IUPAC5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1cnc(NCCc2cn3ccsc3n2)nc1N1CCCC1
InChIInChI=1S/C15H17FN6S/c16-12-9-18-14(20-13(12)21-5-1-2-6-21)17-4-3-11-10-22-7-8-23-15(22)19-11/h7-10H,1-6H2,(H,17,18,20)
InChIKeyPYYXDDHVVTVTGP-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.58
Rot. Bonds5

About 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine

5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 134707806) has the molecular formula C15H17FN6S and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID134707806
Molecular FormulaC15H17FN6S
Molecular Weight332.41 g/mol
Exact Mass332.12
IUPAC Name5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1cnc(NCCc2cn3ccsc3n2)nc1N1CCCC1
InChIInChI=1S/C15H17FN6S/c16-12-9-18-14(20-13(12)21-5-1-2-6-21)17-4-3-11-10-22-7-8-23-15(22)19-11/h7-10H,1-6H2,(H,17,18,20)
InChIKeyPYYXDDHVVTVTGP-UHFFFAOYSA-N
XLogP2.58
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 134707806) is 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine is Fc1cnc(NCCc2cn3ccsc3n2)nc1N1CCCC1.
What is the InChIKey of 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is PYYXDDHVVTVTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6S/c16-12-9-18-14(20-13(12)21-5-1-2-6-21)17-4-3-11-10-22-7-8-23-15(22)19-11/h7-10H,1-6H2,(H,17,18,20).
What are the key properties of 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 134707806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).