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

C15H17F2N5OS — CID 171334280

IUPAC3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ncnc(N2CCC(F)(C(=O)Nc3nccs3)C2)c1F
InChIInChI=1S/C15H17F2N5OS/c1-9(2)11-10(16)12(20-8-19-11)22-5-3-15(17,7-22)13(23)21-14-18-4-6-24-14/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,21,23)
InChIKeyGAKQOYMIAZWNLX-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.75
Rot. Bonds4

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

3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171334280) has the molecular formula C15H17F2N5OS and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171334280
Molecular FormulaC15H17F2N5OS
Molecular Weight353.40 g/mol
Exact Mass353.11
IUPAC Name3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ncnc(N2CCC(F)(C(=O)Nc3nccs3)C2)c1F
InChIInChI=1S/C15H17F2N5OS/c1-9(2)11-10(16)12(20-8-19-11)22-5-3-15(17,7-22)13(23)21-14-18-4-6-24-14/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,21,23)
InChIKeyGAKQOYMIAZWNLX-UHFFFAOYSA-N
XLogP2.75
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[2-(1,3-Thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 118739882
3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 154797839
N-[5-[[(3R)-3-[(5-fluoro-4,6-dimethylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 158570276
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 9138744
6-ethyl-5-fluoro-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 128968761
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide
CID 137873340
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-5-oxo-1-(1,3-thiazol-2-yl)-3-pyrrolidinecarboxamide
CID 155495494
3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334190
1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334192
1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334194
1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334222
3-fluoro-N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 171334224

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171334280) is 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is CC(C)c1ncnc(N2CCC(F)(C(=O)Nc3nccs3)C2)c1F.
What is the InChIKey of 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is GAKQOYMIAZWNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5OS/c1-9(2)11-10(16)12(20-8-19-11)22-5-3-15(17,7-22)13(23)21-14-18-4-6-24-14/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,21,23).
What are the key properties of 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).