ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate

C15H18N2O4S2 — CID 1132234

IUPACethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C
InChIInChI=1S/C15H18N2O4S2/c1-5-21-14(18)13-11(4)16-15(22-13)17-23(19,20)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeySDWLDASLCNARCI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.05
Rot. Bonds5

About ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 1132234) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID1132234
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Nameethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C
InChIInChI=1S/C15H18N2O4S2/c1-5-21-14(18)13-11(4)16-15(22-13)17-23(19,20)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeySDWLDASLCNARCI-UHFFFAOYSA-N
XLogP3.05
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 1132234) is ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C.
What is the InChIKey of ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is SDWLDASLCNARCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-5-21-14(18)13-11(4)16-15(22-13)17-23(19,20)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1132234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).