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

C15H17ClN4O2S — CID 44608698

IUPACN'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NN(C(=O)c1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C15H17ClN4O2S/c1-9-12(23-19-17-9)13(21)18-20(15(2,3)4)14(22)10-6-5-7-11(16)8-10/h5-8H,1-4H3,(H,18,21)
InChIKeyUQKNZWXPYULZTH-UHFFFAOYSA-N
MW352.85 g/mol
LogP3.09
Rot. Bonds2

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

N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 44608698) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID44608698
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC NameN'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NN(C(=O)c1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C15H17ClN4O2S/c1-9-12(23-19-17-9)13(21)18-20(15(2,3)4)14(22)10-6-5-7-11(16)8-10/h5-8H,1-4H3,(H,18,21)
InChIKeyUQKNZWXPYULZTH-UHFFFAOYSA-N
XLogP3.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 53.09
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-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 44608867
(4-tert-butylthiadiazol-5-yl)-(3-chlorophenyl)methanone
CID 105082687
N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide
CID 42610446
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
3-chloroaniline;4-methylthiadiazole-5-carboxylic acid
CID 70613775
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide (CID 44608698) is N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NN(C(=O)c1cccc(Cl)c1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is UQKNZWXPYULZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-9-12(23-19-17-9)13(21)18-20(15(2,3)4)14(22)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-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 352.85 g/mol, XLogP of 3.09, 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-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 44608698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).