N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide

C14H18N4OS — CID 2813088

IUPACN'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18N4OS/c1-9-12(20-18-15-9)13(19)17-16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,17,19)
InChIKeyAMLNHSYELJZRKH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.90
Rot. Bonds3

About N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide

N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 2813088) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID2813088
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18N4OS/c1-9-12(20-18-15-9)13(19)17-16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,17,19)
InChIKeyAMLNHSYELJZRKH-UHFFFAOYSA-N
XLogP2.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide (CID 2813088) is N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is AMLNHSYELJZRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-12(20-18-15-9)13(19)17-16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,17,19).
What are the key properties of N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide?
N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 290.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 2813088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).