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

C8H10N4OS — CID 62071809

IUPAC2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1ncsc1-c1nnc(CCN)o1
InChIInChI=1S/C8H10N4OS/c1-5-7(14-4-10-5)8-12-11-6(13-8)2-3-9/h4H,2-3,9H2,1H3
InChIKeyKWODBFBOQFMWTE-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.00
Rot. Bonds3

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

2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62071809) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62071809
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1ncsc1-c1nnc(CCN)o1
InChIInChI=1S/C8H10N4OS/c1-5-7(14-4-10-5)8-12-11-6(13-8)2-3-9/h4H,2-3,9H2,1H3
InChIKeyKWODBFBOQFMWTE-UHFFFAOYSA-N
XLogP1.00
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62071809) is 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is Cc1ncsc1-c1nnc(CCN)o1.
What is the InChIKey of 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is KWODBFBOQFMWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5-7(14-4-10-5)8-12-11-6(13-8)2-3-9/h4H,2-3,9H2,1H3.
What are the key properties of 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 210.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62071809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).