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

C14H16FN5OS — CID 171334194

IUPAC1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1ncnc(N2CCC(F)(C(=O)Nc3nccs3)C2)c1C
InChIInChI=1S/C14H16FN5OS/c1-9-10(2)17-8-18-11(9)20-5-3-14(15,7-20)12(21)19-13-16-4-6-22-13/h4,6,8H,3,5,7H2,1-2H3,(H,16,19,21)
InChIKeyYIIUVVXTFKIEIJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.11
Rot. Bonds3

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

1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171334194) has the molecular formula C14H16FN5OS and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171334194
Molecular FormulaC14H16FN5OS
Molecular Weight321.38 g/mol
Exact Mass321.11
IUPAC Name1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1ncnc(N2CCC(F)(C(=O)Nc3nccs3)C2)c1C
InChIInChI=1S/C14H16FN5OS/c1-9-10(2)17-8-18-11(9)20-5-3-14(15,7-20)12(21)19-13-16-4-6-22-13/h4,6,8H,3,5,7H2,1-2H3,(H,16,19,21)
InChIKeyYIIUVVXTFKIEIJ-UHFFFAOYSA-N
XLogP2.11
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171334194) is 1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1ncnc(N2CCC(F)(C(=O)Nc3nccs3)C2)c1C.
What is the InChIKey of 1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is YIIUVVXTFKIEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5OS/c1-9-10(2)17-8-18-11(9)20-5-3-14(15,7-20)12(21)19-13-16-4-6-22-13/h4,6,8H,3,5,7H2,1-2H3,(H,16,19,21).
What are the key properties of 1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).