N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide

C10H9F3N4O2S — CID 139660237

IUPACN'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide
SMILESCC(=O)N(C)N(C(C)=O)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C10H9F3N4O2S/c1-5(18)16(3)17(6(2)19)9-15-8(10(11,12)13)7(4-14)20-9/h1-3H3
InChIKeyHTZURZPUYLQSMN-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.78
Rot. Bonds1

About N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide

N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide (PubChem CID 139660237) has the molecular formula C10H9F3N4O2S and a molecular weight of 306.27 g/mol. Its IUPAC name is N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide
PubChem CID139660237
Molecular FormulaC10H9F3N4O2S
Molecular Weight306.27 g/mol
Exact Mass306.04
IUPAC NameN'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide
SMILESCC(=O)N(C)N(C(C)=O)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C10H9F3N4O2S/c1-5(18)16(3)17(6(2)19)9-15-8(10(11,12)13)7(4-14)20-9/h1-3H3
InChIKeyHTZURZPUYLQSMN-UHFFFAOYSA-N
XLogP1.78
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 21801148
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide
CID 24832250
N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylbutanehydrazide
CID 139660220
2-[Amino(propyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
CID 139660222
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide
CID 139660223
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide
CID 139660229
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,2-dimethyl-N'-(2-methylpropanoyl)propanehydrazide
CID 139660233
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-N'-(2-methylpropanoyl)propanehydrazide
CID 139660238
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylacetohydrazide
CID 139660242
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide
CID 139660248
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide
CID 139660254
N'-butanoyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]butanehydrazide
CID 139660258

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide?
The IUPAC name of N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide (CID 139660237) is N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide.
What is the SMILES notation for N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide?
The canonical SMILES for N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide is CC(=O)N(C)N(C(C)=O)c1nc(C(F)(F)F)c(C#N)s1.
What is the InChIKey of N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide?
The InChIKey is HTZURZPUYLQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2S/c1-5(18)16(3)17(6(2)19)9-15-8(10(11,12)13)7(4-14)20-9/h1-3H3.
What are the key properties of N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide?
N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide has a molecular weight of 306.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylacetohydrazide is sourced from PubChem (CID 139660237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).