N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide

C15H17FN4O2S — CID 44608867

IUPACN-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C15H17FN4O2S/c1-9-12(23-19-17-9)14(22)20(15(2,3)4)18-13(21)10-6-5-7-11(16)8-10/h5-8H,1-4H3,(H,18,21)
InChIKeyDPDRJJQEIOYAMU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.57
Rot. Bonds2

About N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide

N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 44608867) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID44608867
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C15H17FN4O2S/c1-9-12(23-19-17-9)14(22)20(15(2,3)4)18-13(21)10-6-5-7-11(16)8-10/h5-8H,1-4H3,(H,18,21)
InChIKeyDPDRJJQEIOYAMU-UHFFFAOYSA-N
XLogP2.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
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'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 44608698
N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide
CID 67922013
N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 9182267
N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide
CID 67922216
N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide
CID 67922185
N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
CID 23276915
N'-tert-butyl-3-fluoro-N'-hept-2-ynoylbenzohydrazide
CID 67922133
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
3-fluoro-N-hydroxybenzamide
CID 5082377
N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide
CID 57220641
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate
CID 29139793

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide (CID 44608867) is N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is DPDRJJQEIOYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-9-12(23-19-17-9)14(22)20(15(2,3)4)18-13(21)10-6-5-7-11(16)8-10/h5-8H,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 336.39 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 44608867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).