N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide

C13H12N4O3S2 — CID 7938291

IUPACN'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2cccc(C#N)c2)cs1
InChIInChI=1S/C13H12N4O3S2/c1-9-15-11(8-21-9)6-13(18)16-17-22(19,20)12-4-2-3-10(5-12)7-14/h2-5,8,17H,6H2,1H3,(H,16,18)
InChIKeyANHXUZMIEGOAEO-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.88
Rot. Bonds5

About N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide

N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 7938291) has the molecular formula C13H12N4O3S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID7938291
Molecular FormulaC13H12N4O3S2
Molecular Weight336.40 g/mol
Exact Mass336.04
IUPAC NameN'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2cccc(C#N)c2)cs1
InChIInChI=1S/C13H12N4O3S2/c1-9-15-11(8-21-9)6-13(18)16-17-22(19,20)12-4-2-3-10(5-12)7-14/h2-5,8,17H,6H2,1H3,(H,16,18)
InChIKeyANHXUZMIEGOAEO-UHFFFAOYSA-N
XLogP0.88
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816800
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4827990
N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816112
2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetohydrazide
CID 7667480
N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8614258
2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide
CID 4669667
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
N'-(2,5-dimethoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4828143
2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 115569559
N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide
CID 8842578
N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110374780
2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8844226

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (CID 7938291) is N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is Cc1nc(CC(=O)NNS(=O)(=O)c2cccc(C#N)c2)cs1.
What is the InChIKey of N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is ANHXUZMIEGOAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S2/c1-9-15-11(8-21-9)6-13(18)16-17-22(19,20)12-4-2-3-10(5-12)7-14/h2-5,8,17H,6H2,1H3,(H,16,18).
What are the key properties of N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 336.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 7938291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).