2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

C15H15N5O3S2 — CID 19475273

IUPAC2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H15N5O3S2/c1-2-20-13(7-8-17-20)14(21)18-11-3-5-12(6-4-11)25(22,23)19-15-16-9-10-24-15/h3-10H,2H2,1H3,(H,16,19)(H,18,21)
InChIKeyLKVIWVVICQNHLJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.41
Rot. Bonds6

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

2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 19475273) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID19475273
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC Name2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H15N5O3S2/c1-2-20-13(7-8-17-20)14(21)18-11-3-5-12(6-4-11)25(22,23)19-15-16-9-10-24-15/h3-10H,2H2,1H3,(H,16,19)(H,18,21)
InChIKeyLKVIWVVICQNHLJ-UHFFFAOYSA-N
XLogP2.41
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (CID 19475273) is 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is LKVIWVVICQNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-2-20-13(7-8-17-20)14(21)18-11-3-5-12(6-4-11)25(22,23)19-15-16-9-10-24-15/h3-10H,2H2,1H3,(H,16,19)(H,18,21).
What are the key properties of 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19475273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).