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

C7H12N4OS — CID 75513761

IUPAC5-amino-N-methyl-N-propylthiadiazole-4-carboxamide
SMILESCCCN(C)C(=O)c1nnsc1N
InChIInChI=1S/C7H12N4OS/c1-3-4-11(2)7(12)5-6(8)13-10-9-5/h3-4,8H2,1-2H3
InChIKeyYVZXHQHYYDYSAS-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.60
Rot. Bonds3

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

5-amino-N-methyl-N-propylthiadiazole-4-carboxamide (PubChem CID 75513761) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-propylthiadiazole-4-carboxamide
PubChem CID75513761
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name5-amino-N-methyl-N-propylthiadiazole-4-carboxamide
SMILESCCCN(C)C(=O)c1nnsc1N
InChIInChI=1S/C7H12N4OS/c1-3-4-11(2)7(12)5-6(8)13-10-9-5/h3-4,8H2,1-2H3
InChIKeyYVZXHQHYYDYSAS-UHFFFAOYSA-N
XLogP0.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.60
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?
The IUPAC name of 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide (CID 75513761) is 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide is CCCN(C)C(=O)c1nnsc1N.
What is the InChIKey of 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide?
The InChIKey is YVZXHQHYYDYSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-3-4-11(2)7(12)5-6(8)13-10-9-5/h3-4,8H2,1-2H3.
What are the key properties of 5-amino-N-methyl-N-propylthiadiazole-4-carboxamide?
5-amino-N-methyl-N-propylthiadiazole-4-carboxamide has a molecular weight of 200.27 g/mol, XLogP of 0.60, 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 is sourced from PubChem (CID 75513761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).