2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine

C8H11N5OS — CID 103437286

IUPAC2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCc1cnc(C(C)Nc2nnc(N)o2)s1
InChIInChI=1S/C8H11N5OS/c1-4-3-10-6(15-4)5(2)11-8-13-12-7(9)14-8/h3,5H,1-2H3,(H2,9,12)(H,11,13)
InChIKeyGQFJZKPNHYSPKP-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.59
Rot. Bonds3

About 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine

2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437286) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437286
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCc1cnc(C(C)Nc2nnc(N)o2)s1
InChIInChI=1S/C8H11N5OS/c1-4-3-10-6(15-4)5(2)11-8-13-12-7(9)14-8/h3,5H,1-2H3,(H2,9,12)(H,11,13)
InChIKeyGQFJZKPNHYSPKP-UHFFFAOYSA-N
XLogP1.59
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine (CID 103437286) is 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine is Cc1cnc(C(C)Nc2nnc(N)o2)s1.
What is the InChIKey of 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is GQFJZKPNHYSPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-4-3-10-6(15-4)5(2)11-8-13-12-7(9)14-8/h3,5H,1-2H3,(H2,9,12)(H,11,13).
What are the key properties of 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 225.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).