2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide

C21H27FN4O2S — CID 71122218

IUPAC2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1N=C(N2CCC(NCCC3CC3)C2=O)SC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H27FN4O2S/c1-13-18(19(27)24-12-15-4-6-16(22)7-5-15)29-21(25-13)26-11-9-17(20(26)28)23-10-8-14-2-3-14/h4-7,13-14,17-18,23H,2-3,8-12H2,1H3,(H,24,27)
InChIKeyFLUQENWLMASUII-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.29
Rot. Bonds7

About 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide

2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 71122218) has the molecular formula C21H27FN4O2S and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID71122218
Molecular FormulaC21H27FN4O2S
Molecular Weight418.54 g/mol
Exact Mass418.18
IUPAC Name2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1N=C(N2CCC(NCCC3CC3)C2=O)SC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H27FN4O2S/c1-13-18(19(27)24-12-15-4-6-16(22)7-5-15)29-21(25-13)26-11-9-17(20(26)28)23-10-8-14-2-3-14/h4-7,13-14,17-18,23H,2-3,8-12H2,1H3,(H,24,27)
InChIKeyFLUQENWLMASUII-UHFFFAOYSA-N
XLogP2.29
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 71122208
2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24801670
N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 143649244
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
8-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 10247941
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
1-(4-fluorophenyl)-2-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 50797645
4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
CID 136558020
2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 136633402

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 71122218) is 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide is CC1N=C(N2CCC(NCCC3CC3)C2=O)SC1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is FLUQENWLMASUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2S/c1-13-18(19(27)24-12-15-4-6-16(22)7-5-15)29-21(25-13)26-11-9-17(20(26)28)23-10-8-14-2-3-14/h4-7,13-14,17-18,23H,2-3,8-12H2,1H3,(H,24,27).
What are the key properties of 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71122218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).