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

C15H11F4N5O3S2 — CID 1481955

IUPACN'-(4-fluorophenyl)sulfonyl-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)c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C15H11F4N5O3S2/c1-8-6-12(15(17,18)19)24(22-8)14-20-11(7-28-14)13(25)21-23-29(26,27)10-4-2-9(16)3-5-10/h2-7,23H,1H3,(H,21,25)
InChIKeyMIHBVIBKIHKJPX-UHFFFAOYSA-N
MW449.41 g/mol
LogP2.42
Rot. Bonds5

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

N'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide (PubChem CID 1481955) has the molecular formula C15H11F4N5O3S2 and a molecular weight of 449.41 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
PubChem CID1481955
Molecular FormulaC15H11F4N5O3S2
Molecular Weight449.41 g/mol
Exact Mass449.02
IUPAC NameN'-(4-fluorophenyl)sulfonyl-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)c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C15H11F4N5O3S2/c1-8-6-12(15(17,18)19)24(22-8)14-20-11(7-28-14)13(25)21-23-29(26,27)10-4-2-9(16)3-5-10/h2-7,23H,1H3,(H,21,25)
InChIKeyMIHBVIBKIHKJPX-UHFFFAOYSA-N
XLogP2.42
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 52.42
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'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide (CID 1481955) is N'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-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)c3ccc(F)cc3)cs2)n1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is MIHBVIBKIHKJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N5O3S2/c1-8-6-12(15(17,18)19)24(22-8)14-20-11(7-28-14)13(25)21-23-29(26,27)10-4-2-9(16)3-5-10/h2-7,23H,1H3,(H,21,25).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
N'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 449.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 1481955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).