(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

C14H19N3O2S — CID 39888630

IUPAC(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NCCCN2CCCC2=O)cs1
InChIInChI=1S/C14H19N3O2S/c1-11-16-12(10-20-11)5-6-13(18)15-7-3-9-17-8-2-4-14(17)19/h5-6,10H,2-4,7-9H2,1H3,(H,15,18)/b6-5+
InChIKeyFXEAGSOOCAXIDP-AATRIKPKSA-N
MW293.39 g/mol
LogP1.59
Rot. Bonds6

About (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (PubChem CID 39888630) 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-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
PubChem CID39888630
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NCCCN2CCCC2=O)cs1
InChIInChI=1S/C14H19N3O2S/c1-11-16-12(10-20-11)5-6-13(18)15-7-3-9-17-8-2-4-14(17)19/h5-6,10H,2-4,7-9H2,1H3,(H,15,18)/b6-5+
InChIKeyFXEAGSOOCAXIDP-AATRIKPKSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (CID 39888630) is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is Cc1nc(/C=C/C(=O)NCCCN2CCCC2=O)cs1.
What is the InChIKey of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The InChIKey is FXEAGSOOCAXIDP-AATRIKPKSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-16-12(10-20-11)5-6-13(18)15-7-3-9-17-8-2-4-14(17)19/h5-6,10H,2-4,7-9H2,1H3,(H,15,18)/b6-5+.
What are the key properties of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide has a molecular weight of 293.39 g/mol, XLogP of 1.59, 6 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-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 39888630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).