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

C13H14FN5OS — CID 171334190

IUPAC3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(F)(C(=O)Nc3nccs3)C2)ncn1
InChIInChI=1S/C13H14FN5OS/c1-9-6-10(17-8-16-9)19-4-2-13(14,7-19)11(20)18-12-15-3-5-21-12/h3,5-6,8H,2,4,7H2,1H3,(H,15,18,20)
InChIKeyZSCHPBYXGCJFFR-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.80
Rot. Bonds3

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

3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171334190) has the molecular formula C13H14FN5OS and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171334190
Molecular FormulaC13H14FN5OS
Molecular Weight307.35 g/mol
Exact Mass307.09
IUPAC Name3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(F)(C(=O)Nc3nccs3)C2)ncn1
InChIInChI=1S/C13H14FN5OS/c1-9-6-10(17-8-16-9)19-4-2-13(14,7-19)11(20)18-12-15-3-5-21-12/h3,5-6,8H,2,4,7H2,1H3,(H,15,18,20)
InChIKeyZSCHPBYXGCJFFR-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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Related Compounds

N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135301919
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 16487936
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 1255929
2-(2-(Pyrimidin-2-ylamino)thiazol-4-yl)-1-(pyrrolidin-1-yl)ethanone
CID 49670861
3-((4,6-dimethylpyrimidin-2-yl)amino)-N-(thiazol-2-yl)propanamide
CID 71702074
N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155776211
N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155793632
N-(4,5-dimethylthiazol-2-yl)-2-(2-(pyrimidin-2-ylamino)thiazol-4-yl)acetamide
CID 49677923
4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(1,3-thiazol-2-yl)butanam ide
CID 16443274
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158544
2-ethyl-N-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
CID 154784982

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171334190) is 3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1cc(N2CCC(F)(C(=O)Nc3nccs3)C2)ncn1.
What is the InChIKey of 3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZSCHPBYXGCJFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5OS/c1-9-6-10(17-8-16-9)19-4-2-13(14,7-19)11(20)18-12-15-3-5-21-12/h3,5-6,8H,2,4,7H2,1H3,(H,15,18,20).
What are the key properties of 3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
3-fluoro-1-(6-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-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).