2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide

C9H17N5OS — CID 62182662

IUPAC2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1nnsc1N
InChIInChI=1S/C9H17N5OS/c1-6(2)3-14(5-8(10)15)4-7-9(11)16-13-12-7/h6H,3-5,11H2,1-2H3,(H2,10,15)
InChIKeyTYHZMQHFQWPJQD-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.06
Rot. Bonds6

About 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide

2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 62182662) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID62182662
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1nnsc1N
InChIInChI=1S/C9H17N5OS/c1-6(2)3-14(5-8(10)15)4-7-9(11)16-13-12-7/h6H,3-5,11H2,1-2H3,(H2,10,15)
InChIKeyTYHZMQHFQWPJQD-UHFFFAOYSA-N
XLogP0.06
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide (CID 62182662) is 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1nnsc1N.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is TYHZMQHFQWPJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-6(2)3-14(5-8(10)15)4-7-9(11)16-13-12-7/h6H,3-5,11H2,1-2H3,(H2,10,15).
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide?
2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 243.34 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 62182662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).