[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate

C16H19N3O4S — CID 71907768

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1nc(N)sc1C(=O)OCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C16H19N3O4S/c1-4-10-14(24-16(17)19-10)15(21)23-8-13(20)18-11-7-9(2)5-6-12(11)22-3/h5-7H,4,8H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyKGRSMCFTOOUHLA-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.40
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 71907768) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID71907768
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1nc(N)sc1C(=O)OCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C16H19N3O4S/c1-4-10-14(24-16(17)19-10)15(21)23-8-13(20)18-11-7-9(2)5-6-12(11)22-3/h5-7H,4,8H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyKGRSMCFTOOUHLA-UHFFFAOYSA-N
XLogP2.40
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536278
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651341
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924944
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572664
2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723432
2-O-ethyl 4-O-[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2601280
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724414
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 28857238
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate (CID 71907768) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate is CCc1nc(N)sc1C(=O)OCC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is KGRSMCFTOOUHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-4-10-14(24-16(17)19-10)15(21)23-8-13(20)18-11-7-9(2)5-6-12(11)22-3/h5-7H,4,8H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-amino-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71907768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).