ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate

C19H18N2O4S — CID 3735704

IUPACethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)COc2cccc3ccccc23)sc1C
InChIInChI=1S/C19H18N2O4S/c1-3-24-18(23)17-12(2)26-19(21-17)20-16(22)11-25-15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11H2,1-2H3,(H,20,21,22)
InChIKeyOHGXCKFKGFUMGP-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.80
Rot. Bonds6

About ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 3735704) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID3735704
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Nameethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)COc2cccc3ccccc23)sc1C
InChIInChI=1S/C19H18N2O4S/c1-3-24-18(23)17-12(2)26-19(21-17)20-16(22)11-25-15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11H2,1-2H3,(H,20,21,22)
InChIKeyOHGXCKFKGFUMGP-UHFFFAOYSA-N
XLogP3.80
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
Ethyl 2-{[(4-tert-butylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 978479
Methyl 4-methyl-2-[2-(naphthalen-1-yloxy)acetamido]-1,3-thiazole-5-carboxylate
CID 1317019
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 2122608
{2-[2-(Naphthalen-2-yloxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 3146020
Methyl 4-methyl-2-[2-(2-methylphenoxy)acetylamino]-1,3-thiazole-5-carboxylate
CID 3146505
(2S)-2-amino-N-{5-benzyl-4-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-2-yl}propanamide
CID 23646356
(2S)-2-amino-N-{5-benzyl-4-[(naphthalen-2-yloxy)methyl]-1,3-thiazol-2-yl}propanamide
CID 23646357
Methyl 4-methyl-2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazole-5-carboxylate
CID 886185
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 733441
Ethyl 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 16368630

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate (CID 3735704) is ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC(=O)COc2cccc3ccccc23)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is OHGXCKFKGFUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-24-18(23)17-12(2)26-19(21-17)20-16(22)11-25-15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 3735704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).