ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

C11H15N5O4S2 — CID 167770732

IUPACethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C11H15N5O4S2/c1-4-20-10(17)7-5-12-14-9(7)22(18,19)16-11-13-8(6(2)3)15-21-11/h5-6H,4H2,1-3H3,(H,12,14)(H,13,15,16)
InChIKeyYCQXIQWUARJIFY-UHFFFAOYSA-N
MW345.41 g/mol
LogP1.36
Rot. Bonds6

About ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 167770732) has the molecular formula C11H15N5O4S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID167770732
Molecular FormulaC11H15N5O4S2
Molecular Weight345.41 g/mol
Exact Mass345.06
IUPAC Nameethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1nc(C(C)C)ns1
InChIInChI=1S/C11H15N5O4S2/c1-4-20-10(17)7-5-12-14-9(7)22(18,19)16-11-13-8(6(2)3)15-21-11/h5-6H,4H2,1-3H3,(H,12,14)(H,13,15,16)
InChIKeyYCQXIQWUARJIFY-UHFFFAOYSA-N
XLogP1.36
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 167770732) is ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1nc(C(C)C)ns1.
What is the InChIKey of ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is YCQXIQWUARJIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S2/c1-4-20-10(17)7-5-12-14-9(7)22(18,19)16-11-13-8(6(2)3)15-21-11/h5-6H,4H2,1-3H3,(H,12,14)(H,13,15,16).
What are the key properties of ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 345.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 167770732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).