N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide

C16H14N2O4S — CID 4098996

IUPACN-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1cccc2cc(-c3csc(NC(C)=O)n3)c(=O)oc12
InChIInChI=1S/C16H14N2O4S/c1-3-21-13-6-4-5-10-7-11(15(20)22-14(10)13)12-8-23-16(18-12)17-9(2)19/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyTXYHVFMOPPCFDT-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.27
Rot. Bonds4

About N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4098996) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID4098996
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1cccc2cc(-c3csc(NC(C)=O)n3)c(=O)oc12
InChIInChI=1S/C16H14N2O4S/c1-3-21-13-6-4-5-10-7-11(15(20)22-14(10)13)12-8-23-16(18-12)17-9(2)19/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyTXYHVFMOPPCFDT-UHFFFAOYSA-N
XLogP3.27
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide 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

3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
CID 5207452
7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 30349569
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888822
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17404838
8-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxochromene-3-carboxamide
CID 121148570
3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1159991
8-ethoxy-3-[(E)-C-methyl-N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]chromen-2-one
CID 177374580
N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide
CID 42138603
3-acetyl-8-ethoxychromen-2-one
CID 3266617
8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1108270
8-methoxy-3-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 11144292

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (CID 4098996) is N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is CCOc1cccc2cc(-c3csc(NC(C)=O)n3)c(=O)oc12.
What is the InChIKey of N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is TXYHVFMOPPCFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-3-21-13-6-4-5-10-7-11(15(20)22-14(10)13)12-8-23-16(18-12)17-9(2)19/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 330.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4098996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).