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

C8H11N5OS — CID 106412750

IUPAC4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C8H11N5OS/c1-5-7(9)13-15-8(5)10-3-2-6-11-4-12-14-6/h4,10H,2-3H2,1H3,(H2,9,13)
InChIKeyMLZLKGODLIGYHB-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.07
Rot. Bonds4

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

4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 106412750) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID106412750
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C8H11N5OS/c1-5-7(9)13-15-8(5)10-3-2-6-11-4-12-14-6/h4,10H,2-3H2,1H3,(H2,9,13)
InChIKeyMLZLKGODLIGYHB-UHFFFAOYSA-N
XLogP1.07
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 106412750) is 4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCCc1ncno1.
What is the InChIKey of 4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is MLZLKGODLIGYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-5-7(9)13-15-8(5)10-3-2-6-11-4-12-14-6/h4,10H,2-3H2,1H3,(H2,9,13).
What are the key properties of 4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 225.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106412750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).