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

C20H24FN3O2S — CID 71122208

IUPAC2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1N=C(N2CCC(CC3CC3)C2=O)SC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2S/c1-12-17(18(25)22-11-14-4-6-16(21)7-5-14)27-20(23-12)24-9-8-15(19(24)26)10-13-2-3-13/h4-7,12-13,15,17H,2-3,8-11H2,1H3,(H,22,25)
InChIKeyBKXPRIDGIJSVIH-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.95
Rot. Bonds5

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

2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 71122208) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID71122208
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1N=C(N2CCC(CC3CC3)C2=O)SC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2S/c1-12-17(18(25)22-11-14-4-6-16(21)7-5-14)27-20(23-12)24-9-8-15(19(24)26)10-13-2-3-13/h4-7,12-13,15,17H,2-3,8-11H2,1H3,(H,22,25)
InChIKeyBKXPRIDGIJSVIH-UHFFFAOYSA-N
XLogP2.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 71122218
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
8-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 10247941
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
1-(4-fluorophenyl)-2-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 50797645
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
N-[(4-fluorophenyl)methyl]-2-oxo-1-phenylimidazolidine-4-carboxamide
CID 134793482
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 71122208) is 2-[3-(cyclopropylmethyl)-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-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide is CC1N=C(N2CCC(CC3CC3)C2=O)SC1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is BKXPRIDGIJSVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-12-17(18(25)22-11-14-4-6-16(21)7-5-14)27-20(23-12)24-9-8-15(19(24)26)10-13-2-3-13/h4-7,12-13,15,17H,2-3,8-11H2,1H3,(H,22,25).
What are the key properties of 2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71122208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).