N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide

C15H12N4O3S2 — CID 2824175

IUPACN'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C15H12N4O3S2/c20-14(18-19-24(21,22)12-6-2-1-3-7-12)13-10-23-15(17-13)11-5-4-8-16-9-11/h1-10,19H,(H,18,20)
InChIKeyFLAGEDKUDWQGOE-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.83
Rot. Bonds5

About N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide

N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 2824175) has the molecular formula C15H12N4O3S2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide
PubChem CID2824175
Molecular FormulaC15H12N4O3S2
Molecular Weight360.42 g/mol
Exact Mass360.04
IUPAC NameN'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C15H12N4O3S2/c20-14(18-19-24(21,22)12-6-2-1-3-7-12)13-10-23-15(17-13)11-5-4-8-16-9-11/h1-10,19H,(H,18,20)
InChIKeyFLAGEDKUDWQGOE-UHFFFAOYSA-N
XLogP1.83
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide (CID 2824175) is N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1csc(-c2cccnc2)n1.
What is the InChIKey of N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is FLAGEDKUDWQGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S2/c20-14(18-19-24(21,22)12-6-2-1-3-7-12)13-10-23-15(17-13)11-5-4-8-16-9-11/h1-10,19H,(H,18,20).
What are the key properties of N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide?
N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 360.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2824175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).