N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide

C15H12F3N5O3S2 — CID 1478061

IUPACN'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(=O)(=O)c3ccccc3)cs2)n1
InChIInChI=1S/C15H12F3N5O3S2/c1-9-7-12(15(16,17)18)23(21-9)14-19-11(8-27-14)13(24)20-22-28(25,26)10-5-3-2-4-6-10/h2-8,22H,1H3,(H,20,24)
InChIKeyYJIMDKNKBONUTI-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.28
Rot. Bonds5

About N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide

N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide (PubChem CID 1478061) has the molecular formula C15H12F3N5O3S2 and a molecular weight of 431.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
PubChem CID1478061
Molecular FormulaC15H12F3N5O3S2
Molecular Weight431.42 g/mol
Exact Mass431.03
IUPAC NameN'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(=O)(=O)c3ccccc3)cs2)n1
InChIInChI=1S/C15H12F3N5O3S2/c1-9-7-12(15(16,17)18)23(21-9)14-19-11(8-27-14)13(24)20-22-28(25,26)10-5-3-2-4-6-10/h2-8,22H,1H3,(H,20,24)
InChIKeyYJIMDKNKBONUTI-UHFFFAOYSA-N
XLogP2.28
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide (CID 1478061) is N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(=O)(=O)c3ccccc3)cs2)n1.
What is the InChIKey of N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is YJIMDKNKBONUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O3S2/c1-9-7-12(15(16,17)18)23(21-9)14-19-11(8-27-14)13(24)20-22-28(25,26)10-5-3-2-4-6-10/h2-8,22H,1H3,(H,20,24).
What are the key properties of N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 431.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 1478061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).