N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide

C15H17ClN4O2S — CID 44608866

IUPACN-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)N(NC(=O)c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C15H17ClN4O2S/c1-9-12(23-19-17-9)14(22)20(15(2,3)4)18-13(21)10-7-5-6-8-11(10)16/h5-8H,1-4H3,(H,18,21)
InChIKeyBJOPUROIOSANHU-UHFFFAOYSA-N
MW352.85 g/mol
LogP3.09
Rot. Bonds2

About N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide

N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 44608866) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID44608866
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC NameN-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)N(NC(=O)c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C15H17ClN4O2S/c1-9-12(23-19-17-9)14(22)20(15(2,3)4)18-13(21)10-7-5-6-8-11(10)16/h5-8H,1-4H3,(H,18,21)
InChIKeyBJOPUROIOSANHU-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-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-thiadiazole-5-carboxamide
CID 332921
N-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 25190348
N-[(2-chloro-6-fluorophenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 6917377
N-(2-chloro-6-fluorobenzoyl)-4-cyclopropylthiadiazole-5-carboxamide
CID 25189552
N-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-cyclopropylthiadiazole-5-carboxamide
CID 44443753
N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 44608697
N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 44608698
1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-, 2-(1,1-dimethylethyl)-2-[4-(trifluoromethyl)benzoyl]hydrazide
CID 44608700
N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 44608864
N-tert-butyl-4-methyl-N'-[3-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide
CID 44608868
N'-tert-butyl-4-methyl-N'-(2-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 50940560
N'-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 50940561

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide (CID 44608866) is N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)N(NC(=O)c1ccccc1Cl)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is BJOPUROIOSANHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-9-12(23-19-17-9)14(22)20(15(2,3)4)18-13(21)10-7-5-6-8-11(10)16/h5-8H,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-N'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
N-tert-butyl-N'-(2-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'-(2-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 44608866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).