N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C18H17ClN2O4S — CID 30766722

IUPACN-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(COc2cc3oc(=O)cc(C)c3cc2Cl)cs1
InChIInChI=1S/C18H17ClN2O4S/c1-4-21(11(3)22)18-20-12(9-26-18)8-24-16-7-15-13(6-14(16)19)10(2)5-17(23)25-15/h5-7,9H,4,8H2,1-3H3
InChIKeyMOITZYJKYBRTSY-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.16
Rot. Bonds5

About N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 30766722) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID30766722
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(COc2cc3oc(=O)cc(C)c3cc2Cl)cs1
InChIInChI=1S/C18H17ClN2O4S/c1-4-21(11(3)22)18-20-12(9-26-18)8-24-16-7-15-13(6-14(16)19)10(2)5-17(23)25-15/h5-7,9H,4,8H2,1-3H3
InChIKeyMOITZYJKYBRTSY-UHFFFAOYSA-N
XLogP4.16
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide with MolForge

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Related Compounds

6-chloro-7-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-methylchromen-2-one
CID 38896838
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one
CID 166372173
6-chloro-4-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one
CID 38896678
4-(6-chloro-4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 20990338
7-chloro-4-methyl-6-(2-oxopropoxy)chromen-2-one
CID 673994
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 31202064
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
methyl 5-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylate
CID 5124704
tert-butyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 854694
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 4-bromo-3,5-dimethoxybenzoate
CID 30934427

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 30766722) is N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(COc2cc3oc(=O)cc(C)c3cc2Cl)cs1.
What is the InChIKey of N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is MOITZYJKYBRTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-4-21(11(3)22)18-20-12(9-26-18)8-24-16-7-15-13(6-14(16)19)10(2)5-17(23)25-15/h5-7,9H,4,8H2,1-3H3.
What are the key properties of N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 392.86 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 30766722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).