(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide

C20H19N3O2S2 — CID 24573079

IUPAC(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H19N3O2S2/c24-19(6-1-15-7-12-26-13-15)21-17-4-2-16(3-5-17)18-14-27-20(22-18)23-8-10-25-11-9-23/h1-7,12-14H,8-11H2,(H,21,24)/b6-1+
InChIKeyQAWYDCIHWGWZHP-LZCJLJQNSA-N
MW397.53 g/mol
LogP4.36
Rot. Bonds5

About (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 24573079) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID24573079
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H19N3O2S2/c24-19(6-1-15-7-12-26-13-15)21-17-4-2-16(3-5-17)18-14-27-20(22-18)23-8-10-25-11-9-23/h1-7,12-14H,8-11H2,(H,21,24)/b6-1+
InChIKeyQAWYDCIHWGWZHP-LZCJLJQNSA-N
XLogP4.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 166427762
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 17493632
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
CID 41452060
1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea
CID 166240344
(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30268790
3-[4-(dimethylamino)phenyl]-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 18272653
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea
CID 167887337
2-(dimethylamino)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 38936617
2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
CID 24629987
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
5-fluoro-2-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26012155

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide (CID 24573079) is (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide is O=C(/C=C/c1ccsc1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is QAWYDCIHWGWZHP-LZCJLJQNSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c24-19(6-1-15-7-12-26-13-15)21-17-4-2-16(3-5-17)18-14-27-20(22-18)23-8-10-25-11-9-23/h1-7,12-14H,8-11H2,(H,21,24)/b6-1+.
What are the key properties of (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 397.53 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 24573079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).