N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide

C13H15N3O2S3 — CID 4071056

IUPACN'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1ccccc1)c1sc(=S)n(C)c1C
InChIInChI=1S/C13H15N3O2S3/c1-9(12-10(2)16(3)13(19)20-12)14-15-21(17,18)11-7-5-4-6-8-11/h4-8,14-15H,1H2,2-3H3
InChIKeyWMKWNRCGEXGTNF-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.58
Rot. Bonds5

About N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide

N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide (PubChem CID 4071056) has the molecular formula C13H15N3O2S3 and a molecular weight of 341.48 g/mol. Its IUPAC name is N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide
PubChem CID4071056
Molecular FormulaC13H15N3O2S3
Molecular Weight341.48 g/mol
Exact Mass341.03
IUPAC NameN'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1ccccc1)c1sc(=S)n(C)c1C
InChIInChI=1S/C13H15N3O2S3/c1-9(12-10(2)16(3)13(19)20-12)14-15-21(17,18)11-7-5-4-6-8-11/h4-8,14-15H,1H2,2-3H3
InChIKeyWMKWNRCGEXGTNF-UHFFFAOYSA-N
XLogP2.58
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide?
The IUPAC name of N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide (CID 4071056) is N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide.
What is the SMILES notation for N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide?
The canonical SMILES for N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide is C=C(NNS(=O)(=O)c1ccccc1)c1sc(=S)n(C)c1C.
What is the InChIKey of N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide?
The InChIKey is WMKWNRCGEXGTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S3/c1-9(12-10(2)16(3)13(19)20-12)14-15-21(17,18)11-7-5-4-6-8-11/h4-8,14-15H,1H2,2-3H3.
What are the key properties of N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide?
N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide has a molecular weight of 341.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]benzenesulfonohydrazide is sourced from PubChem (CID 4071056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).