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

C18H16N2O4S — CID 1317019

IUPACmethyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2cccc3ccccc23)nc1C
InChIInChI=1S/C18H16N2O4S/c1-11-16(17(22)23-2)25-18(19-11)20-15(21)10-24-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyYZKRHZKXBMHYCK-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.41
Rot. Bonds5

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

methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 1317019) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID1317019
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namemethyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2cccc3ccccc23)nc1C
InChIInChI=1S/C18H16N2O4S/c1-11-16(17(22)23-2)25-18(19-11)20-15(21)10-24-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyYZKRHZKXBMHYCK-UHFFFAOYSA-N
XLogP3.41
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 699676
Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-4-(2-methylphenoxy)butanamide
CID 1637639
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
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
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
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4119913
Ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4385342
Methyl 4-methyl-2-[2-(2-methylphenoxy)acetylamino]-1,3-thiazole-5-carboxylate
CID 3146505
2-[2-(2-Methoxy-phenyl)-acetylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 6490609

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate (CID 1317019) is methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)COc2cccc3ccccc23)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is YZKRHZKXBMHYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-11-16(17(22)23-2)25-18(19-11)20-15(21)10-24-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10H2,1-2H3,(H,19,20,21).
What are the key properties of methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1317019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).