1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide

C20H14N6O4S2 — CID 71716176

IUPAC1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cc(C(N)=O)cn2)cc1
InChIInChI=1S/C20H14N6O4S2/c21-10-13-9-17(32(28,29)25-20-23-7-8-31-20)5-6-18(13)30-16-3-1-15(2-4-16)26-12-14(11-24-26)19(22)27/h1-9,11-12H,(H2,22,27)(H,23,25)
InChIKeyKGWSUOAVWCUQTE-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.89
Rot. Bonds7

About 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide

1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide (PubChem CID 71716176) has the molecular formula C20H14N6O4S2 and a molecular weight of 466.50 g/mol. Its IUPAC name is 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide
PubChem CID71716176
Molecular FormulaC20H14N6O4S2
Molecular Weight466.50 g/mol
Exact Mass466.05
IUPAC Name1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cc(C(N)=O)cn2)cc1
InChIInChI=1S/C20H14N6O4S2/c21-10-13-9-17(32(28,29)25-20-23-7-8-31-20)5-6-18(13)30-16-3-1-15(2-4-16)26-12-14(11-24-26)19(22)27/h1-9,11-12H,(H2,22,27)(H,23,25)
InChIKeyKGWSUOAVWCUQTE-UHFFFAOYSA-N
XLogP2.89
TPSA152.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide (CID 71716176) is 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide is N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cc(C(N)=O)cn2)cc1.
What is the InChIKey of 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide?
The InChIKey is KGWSUOAVWCUQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O4S2/c21-10-13-9-17(32(28,29)25-20-23-7-8-31-20)5-6-18(13)30-16-3-1-15(2-4-16)26-12-14(11-24-26)19(22)27/h1-9,11-12H,(H2,22,27)(H,23,25).
What are the key properties of 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide?
1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71716176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).