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

C14H16FN5OS — CID 171337725

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC(F)(C(=O)Nc3nccs3)C2)n1
InChIInChI=1S/C14H16FN5OS/c1-9-7-10(2)18-12(17-9)20-5-3-14(15,8-20)11(21)19-13-16-4-6-22-13/h4,6-7H,3,5,8H2,1-2H3,(H,16,19,21)
InChIKeyQKKYCVOJDFFZML-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.11
Rot. Bonds3

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

1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171337725) has the molecular formula C14H16FN5OS and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171337725
Molecular FormulaC14H16FN5OS
Molecular Weight321.38 g/mol
Exact Mass321.11
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC(F)(C(=O)Nc3nccs3)C2)n1
InChIInChI=1S/C14H16FN5OS/c1-9-7-10(2)18-12(17-9)20-5-3-14(15,8-20)11(21)19-13-16-4-6-22-13/h4,6-7H,3,5,8H2,1-2H3,(H,16,19,21)
InChIKeyQKKYCVOJDFFZML-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-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171337725) is 1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1cc(C)nc(N2CCC(F)(C(=O)Nc3nccs3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is QKKYCVOJDFFZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5OS/c1-9-7-10(2)18-12(17-9)20-5-3-14(15,8-20)11(21)19-13-16-4-6-22-13/h4,6-7H,3,5,8H2,1-2H3,(H,16,19,21).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171337725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).