ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C18H16N2O4S — CID 43019001

IUPACethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc3ccccc3cc2O)n1
InChIInChI=1S/C18H16N2O4S/c1-2-24-16(22)9-13-10-25-18(19-13)20-17(23)14-7-11-5-3-4-6-12(11)8-15(14)21/h3-8,10,21H,2,9H2,1H3,(H,19,20,23)
InChIKeyYPXWCQGSTOHSCM-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.36
Rot. Bonds5

About ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 43019001) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID43019001
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Nameethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc3ccccc3cc2O)n1
InChIInChI=1S/C18H16N2O4S/c1-2-24-16(22)9-13-10-25-18(19-13)20-17(23)14-7-11-5-3-4-6-12(11)8-15(14)21/h3-8,10,21H,2,9H2,1H3,(H,19,20,23)
InChIKeyYPXWCQGSTOHSCM-UHFFFAOYSA-N
XLogP3.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620637
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
ethyl 2-[2-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19280753
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
ethyl 2-[2-[(2-chloro-5-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 5167153
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 43019001) is ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc3ccccc3cc2O)n1.
What is the InChIKey of ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is YPXWCQGSTOHSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-24-16(22)9-13-10-25-18(19-13)20-17(23)14-7-11-5-3-4-6-12(11)8-15(14)21/h3-8,10,21H,2,9H2,1H3,(H,19,20,23).
What are the key properties of ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 356.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43019001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).