2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide

C23H20N2O5S — CID 26196419

IUPAC2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)COc3ccc4ccc(=O)oc4c3)n2)cc1
InChIInChI=1S/C23H20N2O5S/c1-2-11-28-17-7-3-15(4-8-17)19-14-31-23(24-19)25-21(26)13-29-18-9-5-16-6-10-22(27)30-20(16)12-18/h3-10,12,14H,2,11,13H2,1H3,(H,24,25,26)
InChIKeyCMZDHZILPZNJGQ-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.72
Rot. Bonds8

About 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 26196419) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID26196419
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)COc3ccc4ccc(=O)oc4c3)n2)cc1
InChIInChI=1S/C23H20N2O5S/c1-2-11-28-17-7-3-15(4-8-17)19-14-31-23(24-19)25-21(26)13-29-18-9-5-16-6-10-22(27)30-20(16)12-18/h3-10,12,14H,2,11,13H2,1H3,(H,24,25,26)
InChIKeyCMZDHZILPZNJGQ-UHFFFAOYSA-N
XLogP4.72
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19196934
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26881258
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178767
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19202853
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178686
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2519147

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 26196419) is 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCCOc1ccc(-c2csc(NC(=O)COc3ccc4ccc(=O)oc4c3)n2)cc1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CMZDHZILPZNJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-2-11-28-17-7-3-15(4-8-17)19-14-31-23(24-19)25-21(26)13-29-18-9-5-16-6-10-22(27)30-20(16)12-18/h3-10,12,14H,2,11,13H2,1H3,(H,24,25,26).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 436.49 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 26196419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).