1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one

C13H19N3OS — CID 126783215

IUPAC1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCNCC1CCCN1C(=O)C=Cc1cnc(C)s1
InChIInChI=1S/C13H19N3OS/c1-10-15-9-12(18-10)5-6-13(17)16-7-3-4-11(16)8-14-2/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyLZYJJYKWGVQIEN-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.68
Rot. Bonds4

About 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one (PubChem CID 126783215) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
PubChem CID126783215
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCNCC1CCCN1C(=O)C=Cc1cnc(C)s1
InChIInChI=1S/C13H19N3OS/c1-10-15-9-12(18-10)5-6-13(17)16-7-3-4-11(16)8-14-2/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyLZYJJYKWGVQIEN-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,4Z)-4-[1-fluoro-2-[methyl-[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]buta-2,3-dienylidene]-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylidene]pyrrolidin-2-one
CID 176529019
(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 70837535
N-[(1S)-1-[5-[(1Z,3Z)-1-amino-5-[[(3Z,5Z)-6-amino-4-methylhexa-1,3,5-trien-2-yl]amino]hexa-1,3,5-trienyl]-1,3-thiazol-2-yl]ethyl]acetamide
CID 89322602
(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 131243669
(E)-N-(2-aminocyclohexa-1,5-dien-1-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 142622996
N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 56788302
N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 71983161
3-(2-tert-butyl-1,3-thiazol-5-yl)-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 71994797
3-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]prop-2-enamide
CID 71994810
2-[3-(2-Tert-butyl-1,3-thiazol-5-yl)prop-2-enoylamino]-3-methylbutanamide
CID 71994826
3-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]prop-2-enamide
CID 71995119
N-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 72109453

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one (CID 126783215) is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one is CNCC1CCCN1C(=O)C=Cc1cnc(C)s1.
What is the InChIKey of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The InChIKey is LZYJJYKWGVQIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-15-9-12(18-10)5-6-13(17)16-7-3-4-11(16)8-14-2/h5-6,9,11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one?
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one has a molecular weight of 265.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 126783215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).