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

C15H16N2O3S — CID 7954888

IUPAC[2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NCc2ccccc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10-14(21-11(2)17-10)15(19)20-9-13(18)16-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18)
InChIKeyLXCQGNKQHFPGCV-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.23
Rot. Bonds5

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

[2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954888) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954888
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NCc2ccccc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10-14(21-11(2)17-10)15(19)20-9-13(18)16-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18)
InChIKeyLXCQGNKQHFPGCV-UHFFFAOYSA-N
XLogP2.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954888) is [2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)NCc2ccccc2)s1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is LXCQGNKQHFPGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-14(21-11(2)17-10)15(19)20-9-13(18)16-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).