1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C20H16F2N4O2S — CID 46404152

IUPAC1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)sc1-c1ccccn1
InChIInChI=1S/C20H16F2N4O2S/c1-11-18(15-4-2-3-7-23-15)29-20(24-11)25-19(28)12-8-17(27)26(10-12)16-6-5-13(21)9-14(16)22/h2-7,9,12H,8,10H2,1H3,(H,24,25,28)
InChIKeyYUADTOAMSUSTHR-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.78
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46404152) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46404152
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)sc1-c1ccccn1
InChIInChI=1S/C20H16F2N4O2S/c1-11-18(15-4-2-3-7-23-15)29-20(24-11)25-19(28)12-8-17(27)26(10-12)16-6-5-13(21)9-14(16)22/h2-7,9,12H,8,10H2,1H3,(H,24,25,28)
InChIKeyYUADTOAMSUSTHR-UHFFFAOYSA-N
XLogP3.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55783688
(3R)-1-(2,4-difluorophenyl)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95139491
1-(2,4-difluorophenyl)-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 46404177
(3S)-1-(2,4-difluorophenyl)-5-oxo-N-(2-pyridin-2-ylsulfanyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 95350696
(4R)-7-fluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31158277
1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55979557
(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176222
N-(2-acetylphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42957217
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
1-(2,4-difluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55624061
1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113190668

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 46404152) is 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1nc(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)sc1-c1ccccn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YUADTOAMSUSTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c1-11-18(15-4-2-3-7-23-15)29-20(24-11)25-19(28)12-8-17(27)26(10-12)16-6-5-13(21)9-14(16)22/h2-7,9,12H,8,10H2,1H3,(H,24,25,28).
What are the key properties of 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46404152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).