2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate

C16H20N2O4S2 — CID 78838545

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCCc2scnc2C)cc(C)c1C
InChIInChI=1S/C16H20N2O4S2/c1-10-7-13(8-15(11(10)2)24(20,21)17-4)16(19)22-6-5-14-12(3)18-9-23-14/h7-9,17H,5-6H2,1-4H3
InChIKeyQKABQSZXMKFQKN-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.38
Rot. Bonds6

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate

2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate (PubChem CID 78838545) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate
PubChem CID78838545
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCCc2scnc2C)cc(C)c1C
InChIInChI=1S/C16H20N2O4S2/c1-10-7-13(8-15(11(10)2)24(20,21)17-4)16(19)22-6-5-14-12(3)18-9-23-14/h7-9,17H,5-6H2,1-4H3
InChIKeyQKABQSZXMKFQKN-UHFFFAOYSA-N
XLogP2.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
CID 86939183
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-(methylsulfanylmethyl)benzoate
CID 86917963
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate
CID 75376218
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 78804194
3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-benzylpyrazole-4-carboxylate
CID 134044519
methyl 2-bromo-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoate
CID 81091489
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
CID 65444170
3-amino-4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63279899
2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
CID 23797383
ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24598327

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate (CID 78838545) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)OCCc2scnc2C)cc(C)c1C.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate?
The InChIKey is QKABQSZXMKFQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-10-7-13(8-15(11(10)2)24(20,21)17-4)16(19)22-6-5-14-12(3)18-9-23-14/h7-9,17H,5-6H2,1-4H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate has a molecular weight of 368.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3,4-dimethyl-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 78838545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).