(7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

C21H16N2O3S — CID 55388121

IUPAC(7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESCOc1ccc2ccc(OC(=O)Cc3csc(-c4cccnc4)n3)cc2c1
InChIInChI=1S/C21H16N2O3S/c1-25-18-6-4-14-5-7-19(10-16(14)9-18)26-20(24)11-17-13-27-21(23-17)15-3-2-8-22-12-15/h2-10,12-13H,11H2,1H3
InChIKeyOKGUVFKZSLSDRC-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.51
Rot. Bonds5

About (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

(7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 55388121) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID55388121
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name(7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESCOc1ccc2ccc(OC(=O)Cc3csc(-c4cccnc4)n3)cc2c1
InChIInChI=1S/C21H16N2O3S/c1-25-18-6-4-14-5-7-19(10-16(14)9-18)26-20(24)11-17-13-27-21(23-17)15-3-2-8-22-12-15/h2-10,12-13H,11H2,1H3
InChIKeyOKGUVFKZSLSDRC-UHFFFAOYSA-N
XLogP4.51
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204586
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 112795057
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
CID 7956863
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770964
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919041
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
(2-oxo-2-thiophen-2-ylethyl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919072

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 55388121) is (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is COc1ccc2ccc(OC(=O)Cc3csc(-c4cccnc4)n3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is OKGUVFKZSLSDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-25-18-6-4-14-5-7-19(10-16(14)9-18)26-20(24)11-17-13-27-21(23-17)15-3-2-8-22-12-15/h2-10,12-13H,11H2,1H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
(7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 376.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55388121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).