ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate

C11H14N4O4S3 — CID 146571193

IUPACethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Sc2ccnn2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H14N4O4S3/c1-4-19-10(16)8-7-20-11(13-8)21-9-5-6-12-15(9)22(17,18)14(2)3/h5-7H,4H2,1-3H3
InChIKeyBWXZJNXEITZIKP-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.32
Rot. Bonds6

About ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate

ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate (PubChem CID 146571193) has the molecular formula C11H14N4O4S3 and a molecular weight of 362.46 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate
PubChem CID146571193
Molecular FormulaC11H14N4O4S3
Molecular Weight362.46 g/mol
Exact Mass362.02
IUPAC Nameethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Sc2ccnn2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H14N4O4S3/c1-4-19-10(16)8-7-20-11(13-8)21-9-5-6-12-15(9)22(17,18)14(2)3/h5-7H,4H2,1-3H3
InChIKeyBWXZJNXEITZIKP-UHFFFAOYSA-N
XLogP1.32
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 66858106
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ethyl 2-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylate
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ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
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ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate
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ethyl 2-[[3,5-bis[(4-ethoxycarbonyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-1,3-thiazole-4-carboxylate
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CID 126802381

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate (CID 146571193) is ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Sc2ccnn2S(=O)(=O)N(C)C)n1.
What is the InChIKey of ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate?
The InChIKey is BWXZJNXEITZIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S3/c1-4-19-10(16)8-7-20-11(13-8)21-9-5-6-12-15(9)22(17,18)14(2)3/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate?
ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate has a molecular weight of 362.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 146571193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).