1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C17H19N3O3S — CID 108747681

IUPAC1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2nc(-c3ccccc3)cs2)CC1=O
InChIInChI=1S/C17H19N3O3S/c1-23-8-7-20-10-13(9-15(20)21)16(22)19-17-18-14(11-24-17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,19,22)
InChIKeySDYKFNCITLPZTO-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.24
Rot. Bonds6

About 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 108747681) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID108747681
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2nc(-c3ccccc3)cs2)CC1=O
InChIInChI=1S/C17H19N3O3S/c1-23-8-7-20-10-13(9-15(20)21)16(22)19-17-18-14(11-24-17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,19,22)
InChIKeySDYKFNCITLPZTO-UHFFFAOYSA-N
XLogP2.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-5-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 112816775
N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108805574
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
1-ethyl-5-oxo-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 60604654
(3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8747521
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
1-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880978
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 91641073
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 124605830
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 112819294

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 108747681) is 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is COCCN1CC(C(=O)Nc2nc(-c3ccccc3)cs2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is SDYKFNCITLPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-23-8-7-20-10-13(9-15(20)21)16(22)19-17-18-14(11-24-17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,19,22).
What are the key properties of 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 108747681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).