(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C21H21N3O3S — CID 9398778

IUPAC(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-2-14-5-7-15(8-6-14)18-13-28-21(22-18)23-20(26)16-10-19(25)24(11-16)12-17-4-3-9-27-17/h3-9,13,16H,2,10-12H2,1H3,(H,22,23,26)/t16-/m1/s1
InChIKeyQMPZKGCRFPEAEV-MRXNPFEDSA-N
MW395.48 g/mol
LogP3.95
Rot. Bonds6

About (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9398778) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9398778
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-2-14-5-7-15(8-6-14)18-13-28-21(22-18)23-20(26)16-10-19(25)24(11-16)12-17-4-3-9-27-17/h3-9,13,16H,2,10-12H2,1H3,(H,22,23,26)/t16-/m1/s1
InChIKeyQMPZKGCRFPEAEV-MRXNPFEDSA-N
XLogP3.95
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880978
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 51154195
(3R)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968878
(3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8747521
(3R)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8882067
(3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 41200996
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 97264226
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 31036670
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 112819294
1-ethyl-5-oxo-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 60604654
1-[(4-methylphenyl)methyl]-5-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 16550159

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 9398778) is (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1.
What is the InChIKey of (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QMPZKGCRFPEAEV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-14-5-7-15(8-6-14)18-13-28-21(22-18)23-20(26)16-10-19(25)24(11-16)12-17-4-3-9-27-17/h3-9,13,16H,2,10-12H2,1H3,(H,22,23,26)/t16-/m1/s1.
What are the key properties of (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9398778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).