(E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide

C19H23N3O3S — CID 6011753

IUPAC(E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCOCCCN(CC(=O)Nc1nc(C)cs1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-15-14-26-19(20-15)21-17(23)13-22(11-6-12-25-2)18(24)10-9-16-7-4-3-5-8-16/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,20,21,23)/b10-9+
InChIKeyNAGGCAUWBKEJNH-MDZDMXLPSA-N
MW373.48 g/mol
LogP2.97
Rot. Bonds9

About (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 6011753) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID6011753
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCOCCCN(CC(=O)Nc1nc(C)cs1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-15-14-26-19(20-15)21-17(23)13-22(11-6-12-25-2)18(24)10-9-16-7-4-3-5-8-16/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,20,21,23)/b10-9+
InChIKeyNAGGCAUWBKEJNH-MDZDMXLPSA-N
XLogP2.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-ethyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4062814
N-(3-ethoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4131219
N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3364867
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 4054310
3-cyclopentyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42771431
2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4638772
ethyl 2-[[3-methoxypropyl(3-phenylprop-2-enoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4031738
2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42769830
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
2-chloro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4076397
2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43037447
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide (CID 6011753) is (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide is COCCCN(CC(=O)Nc1nc(C)cs1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is NAGGCAUWBKEJNH-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-14-26-19(20-15)21-17(23)13-22(11-6-12-25-2)18(24)10-9-16-7-4-3-5-8-16/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,20,21,23)/b10-9+.
What are the key properties of (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 373.48 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6011753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).