5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine

C7H9N5OS — CID 106412755

IUPAC5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCc2ncno2)sn1
InChIInChI=1S/C7H9N5OS/c8-5-3-7(14-12-5)9-2-1-6-10-4-11-13-6/h3-4,9H,1-2H2,(H2,8,12)
InChIKeyLPLHWSBMMYYLDA-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.76
Rot. Bonds4

About 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine

5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 106412755) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID106412755
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCc2ncno2)sn1
InChIInChI=1S/C7H9N5OS/c8-5-3-7(14-12-5)9-2-1-6-10-4-11-13-6/h3-4,9H,1-2H2,(H2,8,12)
InChIKeyLPLHWSBMMYYLDA-UHFFFAOYSA-N
XLogP0.76
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359204
5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 106412711
5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412733
4-methylsulfanyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106412734
3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide
CID 106412740
4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106412750
3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 106412751
3-Amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 106412754
5-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106412777
5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106424901
5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106424923
3-Amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 114185627

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 106412755) is 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is Nc1cc(NCCc2ncno2)sn1.
What is the InChIKey of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is LPLHWSBMMYYLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c8-5-3-7(14-12-5)9-2-1-6-10-4-11-13-6/h3-4,9H,1-2H2,(H2,8,12).
What are the key properties of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 211.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106412755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).