3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C13H14FN5OS — CID 171334191

IUPAC3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1nccc(N2CCC(F)(C(=O)Nc3nccs3)C2)n1
InChIInChI=1S/C13H14FN5OS/c1-9-15-4-2-10(17-9)19-6-3-13(14,8-19)11(20)18-12-16-5-7-21-12/h2,4-5,7H,3,6,8H2,1H3,(H,16,18,20)
InChIKeyROVPMPZAUYCILG-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.80
Rot. Bonds3

About 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171334191) has the molecular formula C13H14FN5OS and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171334191
Molecular FormulaC13H14FN5OS
Molecular Weight307.35 g/mol
Exact Mass307.09
IUPAC Name3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1nccc(N2CCC(F)(C(=O)Nc3nccs3)C2)n1
InChIInChI=1S/C13H14FN5OS/c1-9-15-4-2-10(17-9)19-6-3-13(14,8-19)11(20)18-12-16-5-7-21-12/h2,4-5,7H,3,6,8H2,1H3,(H,16,18,20)
InChIKeyROVPMPZAUYCILG-UHFFFAOYSA-N
XLogP1.80
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171334191) is 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1nccc(N2CCC(F)(C(=O)Nc3nccs3)C2)n1.
What is the InChIKey of 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ROVPMPZAUYCILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5OS/c1-9-15-4-2-10(17-9)19-6-3-13(14,8-19)11(20)18-12-16-5-7-21-12/h2,4-5,7H,3,6,8H2,1H3,(H,16,18,20).
What are the key properties of 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).