N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide

C8H14N4OS — CID 126483688

IUPACN,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
SMILESCNN(C)C(=O)c1snnc1C(C)C
InChIInChI=1S/C8H14N4OS/c1-5(2)6-7(14-11-10-6)8(13)12(4)9-3/h5,9H,1-4H3
InChIKeyLTJDKFJPXHHWTG-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.87
Rot. Bonds3

About N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide

N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide (PubChem CID 126483688) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
PubChem CID126483688
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
SMILESCNN(C)C(=O)c1snnc1C(C)C
InChIInChI=1S/C8H14N4OS/c1-5(2)6-7(14-11-10-6)8(13)12(4)9-3/h5,9H,1-4H3
InChIKeyLTJDKFJPXHHWTG-UHFFFAOYSA-N
XLogP0.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.87
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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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide?
The IUPAC name of N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide (CID 126483688) is N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide?
The canonical SMILES for N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide is CNN(C)C(=O)c1snnc1C(C)C.
What is the InChIKey of N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide?
The InChIKey is LTJDKFJPXHHWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(2)6-7(14-11-10-6)8(13)12(4)9-3/h5,9H,1-4H3.
What are the key properties of N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide?
N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide has a molecular weight of 214.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 126483688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).