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

C16H18N2O4S — CID 7954832

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1sc(C)nc1C
InChIInChI=1S/C16H18N2O4S/c1-10-15(23-11(2)18-10)16(20)22-9-14(19)17-8-12-6-4-5-7-13(12)21-3/h4-7H,8-9H2,1-3H3,(H,17,19)
InChIKeyBNVPAGQCCISIPN-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.24
Rot. Bonds6

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

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954832) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954832
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1sc(C)nc1C
InChIInChI=1S/C16H18N2O4S/c1-10-15(23-11(2)18-10)16(20)22-9-14(19)17-8-12-6-4-5-7-13(12)21-3/h4-7H,8-9H2,1-3H3,(H,17,19)
InChIKeyBNVPAGQCCISIPN-UHFFFAOYSA-N
XLogP2.24
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954832) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is COc1ccccc1CNC(=O)COC(=O)c1sc(C)nc1C.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is BNVPAGQCCISIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-15(23-11(2)18-10)16(20)22-9-14(19)17-8-12-6-4-5-7-13(12)21-3/h4-7H,8-9H2,1-3H3,(H,17,19).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).