4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide

C16H15N3O2S2 — CID 1497801

IUPAC4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-12-7-9-14(10-8-12)23(20,21)19-18-16-17-15(11-22-16)13-5-3-2-4-6-13/h2-11,19H,1H3,(H,17,18)
InChIKeyXPVLURRGHSHAGY-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.42
Rot. Bonds5

About 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide

4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide (PubChem CID 1497801) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide
PubChem CID1497801
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-12-7-9-14(10-8-12)23(20,21)19-18-16-17-15(11-22-16)13-5-3-2-4-6-13/h2-11,19H,1H3,(H,17,18)
InChIKeyXPVLURRGHSHAGY-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_G(2)', 'substructure': 'N/A'}, {'alert_name': 'thiazole_amine_J(1)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide (CID 1497801) is 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide?
The InChIKey is XPVLURRGHSHAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-12-7-9-14(10-8-12)23(20,21)19-18-16-17-15(11-22-16)13-5-3-2-4-6-13/h2-11,19H,1H3,(H,17,18).
What are the key properties of 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide?
4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide has a molecular weight of 345.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide is sourced from PubChem (CID 1497801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).