4-tert-butylthiadiazole-5-carbohydrazide

C7H12N4OS — CID 65205609

IUPAC4-tert-butylthiadiazole-5-carbohydrazide
SMILESCC(C)(C)c1nnsc1C(=O)NN
InChIInChI=1S/C7H12N4OS/c1-7(2,3)5-4(6(12)9-8)13-11-10-5/h8H2,1-3H3,(H,9,12)
InChIKeyVYIHFWHCLFRYRL-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.44
Rot. Bonds1

About 4-tert-butylthiadiazole-5-carbohydrazide

4-tert-butylthiadiazole-5-carbohydrazide (PubChem CID 65205609) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-tert-butylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-tert-butylthiadiazole-5-carbohydrazide
PubChem CID65205609
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name4-tert-butylthiadiazole-5-carbohydrazide
SMILESCC(C)(C)c1nnsc1C(=O)NN
InChIInChI=1S/C7H12N4OS/c1-7(2,3)5-4(6(12)9-8)13-11-10-5/h8H2,1-3H3,(H,9,12)
InChIKeyVYIHFWHCLFRYRL-UHFFFAOYSA-N
XLogP0.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Isopropyl-1,2,3-thiadiazole-5-carboxamide
CID 17984106
4-Ethyl-1,2,3-thiadiazole-5-carboxamide
CID 45084470
4-Propylthiadiazole-5-carbohydrazide
CID 65205659
4-Cyclopropyl-1,2,3-thiadiazole-5-carbohydrazide
CID 68422233
N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
CID 126483688
N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
CID 126483689
ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate
CID 35800709
N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide
CID 36706621
4-Ethyl-1,2,3-thiadiazole-5-carbohydrazide
CID 60664936
4-Propan-2-ylthiadiazole-5-carbonyl azide
CID 65204135
4-Propan-2-ylthiadiazole-5-carbohydrazide
CID 65204705
N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204824

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylthiadiazole-5-carbohydrazide?
The IUPAC name of 4-tert-butylthiadiazole-5-carbohydrazide (CID 65205609) is 4-tert-butylthiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-tert-butylthiadiazole-5-carbohydrazide?
The canonical SMILES for 4-tert-butylthiadiazole-5-carbohydrazide is CC(C)(C)c1nnsc1C(=O)NN.
What is the InChIKey of 4-tert-butylthiadiazole-5-carbohydrazide?
The InChIKey is VYIHFWHCLFRYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-7(2,3)5-4(6(12)9-8)13-11-10-5/h8H2,1-3H3,(H,9,12).
What are the key properties of 4-tert-butylthiadiazole-5-carbohydrazide?
4-tert-butylthiadiazole-5-carbohydrazide has a molecular weight of 200.27 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 65205609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).