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

C10H8N4O2S — CID 79391665

IUPAC4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(-c2ccoc2)no1
InChIInChI=1S/C10H8N4O2S/c1-5-7(8(11)17-14-5)10-12-9(13-16-10)6-2-3-15-4-6/h2-4H,11H2,1H3
InChIKeyTVYZZDNTMJOMOI-UHFFFAOYSA-N
MW248.27 g/mol
LogP2.34
Rot. Bonds2

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

4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 79391665) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID79391665
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(-c2ccoc2)no1
InChIInChI=1S/C10H8N4O2S/c1-5-7(8(11)17-14-5)10-12-9(13-16-10)6-2-3-15-4-6/h2-4H,11H2,1H3
InChIKeyTVYZZDNTMJOMOI-UHFFFAOYSA-N
XLogP2.34
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (CID 79391665) is 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is Cc1nsc(N)c1-c1nc(-c2ccoc2)no1.
What is the InChIKey of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is TVYZZDNTMJOMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c1-5-7(8(11)17-14-5)10-12-9(13-16-10)6-2-3-15-4-6/h2-4H,11H2,1H3.
What are the key properties of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 248.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79391665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).