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

C18H14N4O3S2 — CID 8842578

IUPACN'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide
SMILESN#Cc1ccc(S(=O)(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H14N4O3S2/c19-11-13-6-8-15(9-7-13)27(24,25)22-21-17(23)10-18-20-16(12-26-18)14-4-2-1-3-5-14/h1-9,12,22H,10H2,(H,21,23)
InChIKeyMVPRNRIHVDFLPB-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.23
Rot. Bonds6

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

N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 8842578) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID8842578
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC NameN'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide
SMILESN#Cc1ccc(S(=O)(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H14N4O3S2/c19-11-13-6-8-15(9-7-13)27(24,25)22-21-17(23)10-18-20-16(12-26-18)14-4-2-1-3-5-14/h1-9,12,22H,10H2,(H,21,23)
InChIKeyMVPRNRIHVDFLPB-UHFFFAOYSA-N
XLogP2.23
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.23
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

4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]benzonitrile
CID 61223904
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 7938291
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881889
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-propan-2-ylsulfonylbutan-2-one
CID 58287658
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
4-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773764
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767838
2-[4-(4-ethylsulfonylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4269847
4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 166436069
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 2213605

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide (CID 8842578) is N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide is N#Cc1ccc(S(=O)(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is MVPRNRIHVDFLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c19-11-13-6-8-15(9-7-13)27(24,25)22-21-17(23)10-18-20-16(12-26-18)14-4-2-1-3-5-14/h1-9,12,22H,10H2,(H,21,23).
What are the key properties of N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide?
N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 398.47 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)sulfonyl-2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 8842578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).