5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride

C7H13ClN4OS — CID 75513760

IUPAC5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride
SMILESCCCN(C)C(=O)c1nnsc1N.Cl
InChIInChI=1S/C7H12N4OS.ClH/c1-3-4-11(2)7(12)5-6(8)13-10-9-5;/h3-4,8H2,1-2H3;1H
InChIKeyOEAIFYXCQRHPES-UHFFFAOYSA-N
MW236.73 g/mol
LogP1.02
Rot. Bonds3

About 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride

5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride (PubChem CID 75513760) has the molecular formula C7H13ClN4OS and a molecular weight of 236.73 g/mol. Its IUPAC name is 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride
PubChem CID75513760
Molecular FormulaC7H13ClN4OS
Molecular Weight236.73 g/mol
Exact Mass236.05
IUPAC Name5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride
SMILESCCCN(C)C(=O)c1nnsc1N.Cl
InChIInChI=1S/C7H12N4OS.ClH/c1-3-4-11(2)7(12)5-6(8)13-10-9-5;/h3-4,8H2,1-2H3;1H
InChIKeyOEAIFYXCQRHPES-UHFFFAOYSA-N
XLogP1.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride (CID 75513760) is 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride is CCCN(C)C(=O)c1nnsc1N.Cl.
What is the InChIKey of 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride?
The InChIKey is OEAIFYXCQRHPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS.ClH/c1-3-4-11(2)7(12)5-6(8)13-10-9-5;/h3-4,8H2,1-2H3;1H.
What are the key properties of 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride?
5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride has a molecular weight of 236.73 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 75513760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).