(E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide

C24H19N3O4S — CID 108739801

IUPAC(E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)/C=C/c3coc4ccccc4c3=O)n2)cc1
InChIInChI=1S/C24H19N3O4S/c1-15(28)25-12-16-6-8-17(9-7-16)20-14-32-24(26-20)27-22(29)11-10-18-13-31-21-5-3-2-4-19(21)23(18)30/h2-11,13-14H,12H2,1H3,(H,25,28)(H,26,27,29)/b11-10+
InChIKeyLNVBUAJKWNREAV-ZHACJKMWSA-N
MW445.50 g/mol
LogP4.20
Rot. Bonds6

About (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide

(E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide (PubChem CID 108739801) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide
PubChem CID108739801
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC Name(E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)/C=C/c3coc4ccccc4c3=O)n2)cc1
InChIInChI=1S/C24H19N3O4S/c1-15(28)25-12-16-6-8-17(9-7-16)20-14-32-24(26-20)27-22(29)11-10-18-13-31-21-5-3-2-4-19(21)23(18)30/h2-11,13-14H,12H2,1H3,(H,25,28)(H,26,27,29)/b11-10+
InChIKeyLNVBUAJKWNREAV-ZHACJKMWSA-N
XLogP4.20
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-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)-3-(6-methyl-4-oxochromen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108747679
(E)-3-(4-oxochromen-3-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108727461
(E)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108804951
(E)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108748092
(Z)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108762436
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776305
(E)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108737693
(E)-3-(4-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 108794092
N,N,4-trimethyl-2-[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxamide
CID 108805886
(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805807

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide (CID 108739801) is (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide is CC(=O)NCc1ccc(-c2csc(NC(=O)/C=C/c3coc4ccccc4c3=O)n2)cc1.
What is the InChIKey of (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide?
The InChIKey is LNVBUAJKWNREAV-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H19N3O4S/c1-15(28)25-12-16-6-8-17(9-7-16)20-14-32-24(26-20)27-22(29)11-10-18-13-31-21-5-3-2-4-19(21)23(18)30/h2-11,13-14H,12H2,1H3,(H,25,28)(H,26,27,29)/b11-10+.
What are the key properties of (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide?
(E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide has a molecular weight of 445.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 108739801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).