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

C16H25N3O2S — CID 94178944

IUPAC(E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1
InChIInChI=1S/C16H25N3O2S/c1-12(2)15(19-6-8-21-9-7-19)10-17-16(20)5-4-14-11-22-13(3)18-14/h4-5,11-12,15H,6-10H2,1-3H3,(H,17,20)/b5-4+/t15-/m0/s1
InChIKeyXIWMYRAGAFXCIC-RGDDUWESSA-N
MW323.46 g/mol
LogP1.94
Rot. Bonds6

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

(E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 94178944) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID94178944
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1
InChIInChI=1S/C16H25N3O2S/c1-12(2)15(19-6-8-21-9-7-19)10-17-16(20)5-4-14-11-22-13(3)18-14/h4-5,11-12,15H,6-10H2,1-3H3,(H,17,20)/b5-4+/t15-/m0/s1
InChIKeyXIWMYRAGAFXCIC-RGDDUWESSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide 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

(E)-N-[(2R)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 83058567
(E)-N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 100899597
1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94029050
(E)-N-(2-ethylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 115612896
(E)-N-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 79039607
N-[(3-methyloxetan-3-yl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 78957051
5-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]hexanoic acid
CID 77071057
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 47142635
(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55519710
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
CID 47140362
ethyl N-[4-methyl-1-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]pentan-2-yl]carbamate
CID 55673792
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 94178944) is (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1nc(/C=C/C(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1.
What is the InChIKey of (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is XIWMYRAGAFXCIC-RGDDUWESSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-12(2)15(19-6-8-21-9-7-19)10-17-16(20)5-4-14-11-22-13(3)18-14/h4-5,11-12,15H,6-10H2,1-3H3,(H,17,20)/b5-4+/t15-/m0/s1.
What are the key properties of (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 323.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 94178944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).