5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine

C6H7N5OS — CID 106412733

IUPAC5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCc2ncon2)sn1
InChIInChI=1S/C6H7N5OS/c7-4-1-6(13-11-4)8-2-5-9-3-12-10-5/h1,3,8H,2H2,(H2,7,11)
InChIKeyQBGSJYDOTFDEGN-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.72
Rot. Bonds3

About 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine

5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 106412733) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID106412733
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCc2ncon2)sn1
InChIInChI=1S/C6H7N5OS/c7-4-1-6(13-11-4)8-2-5-9-3-12-10-5/h1,3,8H,2H2,(H2,7,11)
InChIKeyQBGSJYDOTFDEGN-UHFFFAOYSA-N
XLogP0.72
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 106412733) is 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine is Nc1cc(NCc2ncon2)sn1.
What is the InChIKey of 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is QBGSJYDOTFDEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c7-4-1-6(13-11-4)8-2-5-9-3-12-10-5/h1,3,8H,2H2,(H2,7,11).
What are the key properties of 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 197.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106412733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).