1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C14H16FN5OS — CID 171334243

IUPAC1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCc1cnc(N2CCC(F)(C(=O)Nc3nccs3)C2)nc1
InChIInChI=1S/C14H16FN5OS/c1-2-10-7-17-12(18-8-10)20-5-3-14(15,9-20)11(21)19-13-16-4-6-22-13/h4,6-8H,2-3,5,9H2,1H3,(H,16,19,21)
InChIKeyWYVLDXDPKWZJTP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.05
Rot. Bonds4

About 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171334243) has the molecular formula C14H16FN5OS and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171334243
Molecular FormulaC14H16FN5OS
Molecular Weight321.38 g/mol
Exact Mass321.11
IUPAC Name1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCc1cnc(N2CCC(F)(C(=O)Nc3nccs3)C2)nc1
InChIInChI=1S/C14H16FN5OS/c1-2-10-7-17-12(18-8-10)20-5-3-14(15,9-20)11(21)19-13-16-4-6-22-13/h4,6-8H,2-3,5,9H2,1H3,(H,16,19,21)
InChIKeyWYVLDXDPKWZJTP-UHFFFAOYSA-N
XLogP2.05
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171334243) is 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is CCc1cnc(N2CCC(F)(C(=O)Nc3nccs3)C2)nc1.
What is the InChIKey of 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is WYVLDXDPKWZJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5OS/c1-2-10-7-17-12(18-8-10)20-5-3-14(15,9-20)11(21)19-13-16-4-6-22-13/h4,6-8H,2-3,5,9H2,1H3,(H,16,19,21).
What are the key properties of 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).