N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide

C13H12N4O4S2 — CID 166396660

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1csc(S(=O)(=O)NC(=O)c2cc(-c3ccoc3)n[nH]2)n1
InChIInChI=1S/C13H12N4O4S2/c1-2-9-7-22-13(14-9)23(19,20)17-12(18)11-5-10(15-16-11)8-3-4-21-6-8/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyWEXXMLRNSOPAAE-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.81
Rot. Bonds5

About N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 166396660) has the molecular formula C13H12N4O4S2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID166396660
Molecular FormulaC13H12N4O4S2
Molecular Weight352.40 g/mol
Exact Mass352.03
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1csc(S(=O)(=O)NC(=O)c2cc(-c3ccoc3)n[nH]2)n1
InChIInChI=1S/C13H12N4O4S2/c1-2-9-7-22-13(14-9)23(19,20)17-12(18)11-5-10(15-16-11)8-3-4-21-6-8/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyWEXXMLRNSOPAAE-UHFFFAOYSA-N
XLogP1.81
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide
CID 78847242
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-sulfonamide
CID 129608867
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-sulfonamide
CID 129609469
3-(furan-3-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 146122429
3-(furan-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 146123980
3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 167969492

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide (CID 166396660) is N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide is CCc1csc(S(=O)(=O)NC(=O)c2cc(-c3ccoc3)n[nH]2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is WEXXMLRNSOPAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S2/c1-2-9-7-22-13(14-9)23(19,20)17-12(18)11-5-10(15-16-11)8-3-4-21-6-8/h3-7H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)sulfonyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166396660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).