N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide

C11H7F3N4O2S — CID 45488360

IUPACN'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csnn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7F3N4O2S/c12-11(13,14)7-3-1-6(2-4-7)9(19)16-17-10(20)8-5-21-18-15-8/h1-5H,(H,16,19)(H,17,20)
InChIKeyJAFRMHVNKQPKAD-UHFFFAOYSA-N
MW316.26 g/mol
LogP1.63
Rot. Bonds2

About N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide

N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide (PubChem CID 45488360) has the molecular formula C11H7F3N4O2S and a molecular weight of 316.26 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide
PubChem CID45488360
Molecular FormulaC11H7F3N4O2S
Molecular Weight316.26 g/mol
Exact Mass316.02
IUPAC NameN'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csnn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7F3N4O2S/c12-11(13,14)7-3-1-6(2-4-7)9(19)16-17-10(20)8-5-21-18-15-8/h1-5H,(H,16,19)(H,17,20)
InChIKeyJAFRMHVNKQPKAD-UHFFFAOYSA-N
XLogP1.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.63
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

N'-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-(trifluoromethyl)benzohydrazide
CID 2813446
N'-(4-Chlorobenzoyl)-1,2,3-thiadiazole-4-carbohydrazide
CID 45488256
4-(1,2,3-Thiadiazol-4-yl)benzamide
CID 2739359
N'-(4-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 2814011
N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 9084732
4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide
CID 34977307
4-ethyl-N'-(4-fluorobenzoyl)thiadiazole-5-carbohydrazide
CID 51204631
Thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095603
5-Phenylthiadiazole-4-carbohydrazide
CID 12733791
2-Oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide
CID 123280406
4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 9086765
N'-benzoylthiadiazole-4-carbohydrazide
CID 11425161

Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide?
The IUPAC name of N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide (CID 45488360) is N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide.
What is the SMILES notation for N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide?
The canonical SMILES for N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide is O=C(NNC(=O)c1csnn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide?
The InChIKey is JAFRMHVNKQPKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O2S/c12-11(13,14)7-3-1-6(2-4-7)9(19)16-17-10(20)8-5-21-18-15-8/h1-5H,(H,16,19)(H,17,20).
What are the key properties of N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide?
N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide has a molecular weight of 316.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide is sourced from PubChem (CID 45488360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).