3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C14H14FN7OS — CID 171334720

IUPAC3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(F)(C(=O)Nc3nccs3)C2)n2ncnc2n1
InChIInChI=1S/C14H14FN7OS/c1-9-6-10(22-12(19-9)17-8-18-22)21-4-2-14(15,7-21)11(23)20-13-16-3-5-24-13/h3,5-6,8H,2,4,7H2,1H3,(H,16,20,23)
InChIKeyOUNHASUZIIUYGJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.45
Rot. Bonds3

About 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171334720) has the molecular formula C14H14FN7OS and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171334720
Molecular FormulaC14H14FN7OS
Molecular Weight347.38 g/mol
Exact Mass347.10
IUPAC Name3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(F)(C(=O)Nc3nccs3)C2)n2ncnc2n1
InChIInChI=1S/C14H14FN7OS/c1-9-6-10(22-12(19-9)17-8-18-22)21-4-2-14(15,7-21)11(23)20-13-16-3-5-24-13/h3,5-6,8H,2,4,7H2,1H3,(H,16,20,23)
InChIKeyOUNHASUZIIUYGJ-UHFFFAOYSA-N
XLogP1.45
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155804593
7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2093872
7-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2531445
N-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162661748
N-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162662332
N-[7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 171351546
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526585
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78098767
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 117718852
N-[5-[[7-(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155289409
1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 128909190
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144734876

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171334720) is 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1cc(N2CCC(F)(C(=O)Nc3nccs3)C2)n2ncnc2n1.
What is the InChIKey of 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is OUNHASUZIIUYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN7OS/c1-9-6-10(22-12(19-9)17-8-18-22)21-4-2-14(15,7-21)11(23)20-13-16-3-5-24-13/h3,5-6,8H,2,4,7H2,1H3,(H,16,20,23).
What are the key properties of 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).