(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide

C14H19N3O2S — CID 47141250

IUPAC(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NCCC(=O)N2CCCC2)cs1
InChIInChI=1S/C14H19N3O2S/c1-11-16-12(10-20-11)4-5-13(18)15-7-6-14(19)17-8-2-3-9-17/h4-5,10H,2-3,6-9H2,1H3,(H,15,18)/b5-4+
InChIKeyPVISGBJOPNEUHQ-SNAWJCMRSA-N
MW293.39 g/mol
LogP1.59
Rot. Bonds5

About (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide (PubChem CID 47141250) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
PubChem CID47141250
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NCCC(=O)N2CCCC2)cs1
InChIInChI=1S/C14H19N3O2S/c1-11-16-12(10-20-11)4-5-13(18)15-7-6-14(19)17-8-2-3-9-17/h4-5,10H,2-3,6-9H2,1H3,(H,15,18)/b5-4+
InChIKeyPVISGBJOPNEUHQ-SNAWJCMRSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide (CID 47141250) is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide is Cc1nc(/C=C/C(=O)NCCC(=O)N2CCCC2)cs1.
What is the InChIKey of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The InChIKey is PVISGBJOPNEUHQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-16-12(10-20-11)4-5-13(18)15-7-6-14(19)17-8-2-3-9-17/h4-5,10H,2-3,6-9H2,1H3,(H,15,18)/b5-4+.
What are the key properties of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide has a molecular weight of 293.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 47141250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).