N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C20H15N3O3S — CID 9366640

IUPACN-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)c2ccoc2C)cs1
InChIInChI=1S/C20H15N3O3S/c1-13-18(8-9-26-13)19(25)15(11-21)10-16-12-27-20(22-16)23(14(2)24)17-6-4-3-5-7-17/h3-10,12H,1-2H3/b15-10+
InChIKeyRWQZYZDWXYLERQ-XNTDXEJSSA-N
MW377.43 g/mol
LogP4.52
Rot. Bonds5

About N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 9366640) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID9366640
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)c2ccoc2C)cs1
InChIInChI=1S/C20H15N3O3S/c1-13-18(8-9-26-13)19(25)15(11-21)10-16-12-27-20(22-16)23(14(2)24)17-6-4-3-5-7-17/h3-10,12H,1-2H3/b15-10+
InChIKeyRWQZYZDWXYLERQ-XNTDXEJSSA-N
XLogP4.52
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(4-cyanophenyl)prop-2-enamide
CID 26699998
N-[4-[(E)-3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9366891
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-ethyl-N-phenylprop-2-enamide
CID 55363317
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9227143
N-[4-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8685219
2-methoxyethyl (E)-3-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate
CID 18290451
ethyl (Z)-3-[2-(N-acetyl-2,6-diethylanilino)-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate
CID 47013143
N-[4-[2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4795672
N-[4-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8828563
N-[4-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8856571
3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(oxan-4-yl)prop-2-enamide
CID 71890280
3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 78758975

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 9366640) is N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)c2ccoc2C)cs1.
What is the InChIKey of N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is RWQZYZDWXYLERQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-13-18(8-9-26-13)19(25)15(11-21)10-16-12-27-20(22-16)23(14(2)24)17-6-4-3-5-7-17/h3-10,12H,1-2H3/b15-10+.
What are the key properties of N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 377.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 9366640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).