N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide

C22H18N2O5S — CID 43025351

IUPACN-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2SC(c3cc4ccccc4oc3=O)=NC2=O)cc1
InChIInChI=1S/C22H18N2O5S/c1-2-28-15-9-7-14(8-10-15)23-19(25)12-18-20(26)24-21(30-18)16-11-13-5-3-4-6-17(13)29-22(16)27/h3-11,18H,2,12H2,1H3,(H,23,25)
InChIKeyPACZZSBRRALHGQ-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.61
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide (PubChem CID 43025351) has the molecular formula C22H18N2O5S and a molecular weight of 422.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
PubChem CID43025351
Molecular FormulaC22H18N2O5S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC NameN-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2SC(c3cc4ccccc4oc3=O)=NC2=O)cc1
InChIInChI=1S/C22H18N2O5S/c1-2-28-15-9-7-14(8-10-15)23-19(25)12-18-20(26)24-21(30-18)16-11-13-5-3-4-6-17(13)29-22(16)27/h3-11,18H,2,12H2,1H3,(H,23,25)
InChIKeyPACZZSBRRALHGQ-UHFFFAOYSA-N
XLogP3.61
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27438446
N-(4-chlorophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 47007137
N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025347
N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025340
3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 15263193
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 43052670
N-[4-(2-oxochromen-3-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1257824
[(5R)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9419695
[(5S)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9419701
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 9419702

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide (CID 43025351) is N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide is CCOc1ccc(NC(=O)CC2SC(c3cc4ccccc4oc3=O)=NC2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is PACZZSBRRALHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5S/c1-2-28-15-9-7-14(8-10-15)23-19(25)12-18-20(26)24-21(30-18)16-11-13-5-3-4-6-17(13)29-22(16)27/h3-11,18H,2,12H2,1H3,(H,23,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 422.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 43025351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).