(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide

C18H19N3O2S — CID 95618524

IUPAC(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide
SMILESCc1nc(/C=C/C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cs1
InChIInChI=1S/C18H19N3O2S/c1-13-19-14(12-24-13)8-9-17(22)20(2)16-10-11-21(18(16)23)15-6-4-3-5-7-15/h3-9,12,16H,10-11H2,1-2H3/b9-8+/t16-/m1/s1
InChIKeyNWIBYMMXDUNPAJ-ROJDOSBLSA-N
MW341.44 g/mol
LogP2.73
Rot. Bonds4

About (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide

(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide (PubChem CID 95618524) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide
PubChem CID95618524
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide
SMILESCc1nc(/C=C/C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cs1
InChIInChI=1S/C18H19N3O2S/c1-13-19-14(12-24-13)8-9-17(22)20(2)16-10-11-21(18(16)23)15-6-4-3-5-7-15/h3-9,12,16H,10-11H2,1-2H3/b9-8+/t16-/m1/s1
InChIKeyNWIBYMMXDUNPAJ-ROJDOSBLSA-N
XLogP2.73
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpiperidin-3-yl]prop-2-enamide
CID 95322779
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95630430
N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide
CID 95618514
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea
CID 95980251
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 110887273
N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 96515543
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 71875837

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide (CID 95618524) is (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide is Cc1nc(/C=C/C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cs1.
What is the InChIKey of (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide?
The InChIKey is NWIBYMMXDUNPAJ-ROJDOSBLSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-19-14(12-24-13)8-9-17(22)20(2)16-10-11-21(18(16)23)15-6-4-3-5-7-15/h3-9,12,16H,10-11H2,1-2H3/b9-8+/t16-/m1/s1.
What are the key properties of (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide?
(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide has a molecular weight of 341.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 95618524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).