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

C16H19N3O3S — CID 9266974

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-11-14(15(17-2)23-18-11)16(21)22-10-13(20)19(3)9-12-7-5-4-6-8-12/h4-8,17H,9-10H2,1-3H3
InChIKeyOMHVUHJAFYBKLT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.31
Rot. Bonds6

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

[2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (PubChem CID 9266974) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
PubChem CID9266974
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-11-14(15(17-2)23-18-11)16(21)22-10-13(20)19(3)9-12-7-5-4-6-8-12/h4-8,17H,9-10H2,1-3H3
InChIKeyOMHVUHJAFYBKLT-UHFFFAOYSA-N
XLogP2.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (CID 9266974) is [2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is CNc1snc(C)c1C(=O)OCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is OMHVUHJAFYBKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-14(15(17-2)23-18-11)16(21)22-10-13(20)19(3)9-12-7-5-4-6-8-12/h4-8,17H,9-10H2,1-3H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 9266974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).