1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C14H15F2N5OS — CID 171337746

IUPAC1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCc1ncnc(N2CCC(F)(C(=O)Nc3nccs3)C2)c1F
InChIInChI=1S/C14H15F2N5OS/c1-2-9-10(15)11(19-8-18-9)21-5-3-14(16,7-21)12(22)20-13-17-4-6-23-13/h4,6,8H,2-3,5,7H2,1H3,(H,17,20,22)
InChIKeyWKUOXOZCUZYALE-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.19
Rot. Bonds4

About 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171337746) has the molecular formula C14H15F2N5OS and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171337746
Molecular FormulaC14H15F2N5OS
Molecular Weight339.37 g/mol
Exact Mass339.10
IUPAC Name1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCc1ncnc(N2CCC(F)(C(=O)Nc3nccs3)C2)c1F
InChIInChI=1S/C14H15F2N5OS/c1-2-9-10(15)11(19-8-18-9)21-5-3-14(16,7-21)12(22)20-13-17-4-6-23-13/h4,6,8H,2-3,5,7H2,1H3,(H,17,20,22)
InChIKeyWKUOXOZCUZYALE-UHFFFAOYSA-N
XLogP2.19
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171337746) is 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is CCc1ncnc(N2CCC(F)(C(=O)Nc3nccs3)C2)c1F.
What is the InChIKey of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is WKUOXOZCUZYALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5OS/c1-2-9-10(15)11(19-8-18-9)21-5-3-14(16,7-21)12(22)20-13-17-4-6-23-13/h4,6,8H,2-3,5,7H2,1H3,(H,17,20,22).
What are the key properties of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171337746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).