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

C13H12F3N3O3S2 — CID 8844226

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESCc1csc(CC(=O)NNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3O3S2/c1-8-7-23-12(17-8)6-11(20)18-19-24(21,22)10-4-2-3-9(5-10)13(14,15)16/h2-5,7,19H,6H2,1H3,(H,18,20)
InChIKeyDEEZJKQMZXOJNC-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.02
Rot. Bonds5

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

2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide (PubChem CID 8844226) 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'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
PubChem CID8844226
Molecular FormulaC13H12F3N3O3S2
Molecular Weight379.39 g/mol
Exact Mass379.03
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESCc1csc(CC(=O)NNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3O3S2/c1-8-7-23-12(17-8)6-11(20)18-19-24(21,22)10-4-2-3-9(5-10)13(14,15)16/h2-5,7,19H,6H2,1H3,(H,18,20)
InChIKeyDEEZJKQMZXOJNC-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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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8844304
N'-(3-chloro-4-fluorophenyl)sulfonyl-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 8844257
3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110388516
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 56545723
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816800
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 7938291
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55702716

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide (CID 8844226) is 2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide is Cc1csc(CC(=O)NNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The InChIKey is DEEZJKQMZXOJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S2/c1-8-7-23-12(17-8)6-11(20)18-19-24(21,22)10-4-2-3-9(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'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
2-(4-methyl-1,3-thiazol-2-yl)-N'-[3-(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'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide is sourced from PubChem (CID 8844226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).