[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

C16H19N3O4S — CID 27451351

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O4S/c1-10-14(15(17-2)24-19-10)16(21)23-9-13(20)18-8-11-4-6-12(22-3)7-5-11/h4-7,17H,8-9H2,1-3H3,(H,18,20)
InChIKeyXBJWQHVHOVMHPX-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.98
Rot. Bonds7

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (PubChem CID 27451351) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
PubChem CID27451351
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O4S/c1-10-14(15(17-2)24-19-10)16(21)23-9-13(20)18-8-11-4-6-12(22-3)7-5-11/h4-7,17H,8-9H2,1-3H3,(H,18,20)
InChIKeyXBJWQHVHOVMHPX-UHFFFAOYSA-N
XLogP1.98
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate with MolForge

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Related Compounds

[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 42896418
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195959
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195157
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563668
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
[2-(3-iodoanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 24528032
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 56782708
2-(4-cyanophenoxy)ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 24528018
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 55449974
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (CID 27451351) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is CNc1snc(C)c1C(=O)OCC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is XBJWQHVHOVMHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10-14(15(17-2)24-19-10)16(21)23-9-13(20)18-8-11-4-6-12(22-3)7-5-11/h4-7,17H,8-9H2,1-3H3,(H,18,20).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 27451351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).