2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide

C13H12F3N3O3S2 — CID 8844304

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESCc1csc(CC(=O)NNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N3O3S2/c1-8-7-23-12(17-8)6-11(20)18-19-24(21,22)10-4-2-9(3-5-10)13(14,15)16/h2-5,7,19H,6H2,1H3,(H,18,20)
InChIKeyHTJXNYPHPMLZQR-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.02
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide

2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide (PubChem CID 8844304) has the molecular formula C13H12F3N3O3S2 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
PubChem CID8844304
Molecular FormulaC13H12F3N3O3S2
Molecular Weight379.39 g/mol
Exact Mass379.03
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESCc1csc(CC(=O)NNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N3O3S2/c1-8-7-23-12(17-8)6-11(20)18-19-24(21,22)10-4-2-9(3-5-10)13(14,15)16/h2-5,7,19H,6H2,1H3,(H,18,20)
InChIKeyHTJXNYPHPMLZQR-UHFFFAOYSA-N
XLogP2.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide (CID 8844304) is 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide is Cc1csc(CC(=O)NNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The InChIKey is HTJXNYPHPMLZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S2/c1-8-7-23-12(17-8)6-11(20)18-19-24(21,22)10-4-2-9(3-5-10)13(14,15)16/h2-5,7,19H,6H2,1H3,(H,18,20).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide has a molecular weight of 379.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide is sourced from PubChem (CID 8844304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).