ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate

C14H16N2O4S2 — CID 6490608

IUPACethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)Cc2ccccc2)nc1C
InChIInChI=1S/C14H16N2O4S2/c1-3-20-13(17)12-10(2)15-14(21-12)16-22(18,19)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyXSFHYGACNZRNQL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.57
Rot. Bonds6

About ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 6490608) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID6490608
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Nameethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)Cc2ccccc2)nc1C
InChIInChI=1S/C14H16N2O4S2/c1-3-20-13(17)12-10(2)15-14(21-12)16-22(18,19)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyXSFHYGACNZRNQL-UHFFFAOYSA-N
XLogP2.57
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 6490608) is ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)Cc2ccccc2)nc1C.
What is the InChIKey of ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is XSFHYGACNZRNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-3-20-13(17)12-10(2)15-14(21-12)16-22(18,19)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 6490608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).