5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine

C6H7N5OS — CID 65417058

IUPAC5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2csc(N)n2)n1
InChIInChI=1S/C6H7N5OS/c7-5-10-4(12-11-5)1-3-2-13-6(8)9-3/h2H,1H2,(H2,7,11)(H2,8,9)
InChIKeyMLONEYXCFGQSQX-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.28
Rot. Bonds2

About 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine

5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 65417058) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID65417058
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2csc(N)n2)n1
InChIInChI=1S/C6H7N5OS/c7-5-10-4(12-11-5)1-3-2-13-6(8)9-3/h2H,1H2,(H2,7,11)(H2,8,9)
InChIKeyMLONEYXCFGQSQX-UHFFFAOYSA-N
XLogP0.28
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine (CID 65417058) is 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine is Nc1noc(Cc2csc(N)n2)n1.
What is the InChIKey of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is MLONEYXCFGQSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c7-5-10-4(12-11-5)1-3-2-13-6(8)9-3/h2H,1H2,(H2,7,11)(H2,8,9).
What are the key properties of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine?
5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 197.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65417058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).