5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine

C8H10N4OS2 — CID 28782690

IUPAC5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCCc1noc(CSc2cnc(N)s2)n1
InChIInChI=1S/C8H10N4OS2/c1-2-5-11-6(13-12-5)4-14-7-3-10-8(9)15-7/h3H,2,4H2,1H3,(H2,9,10)
InChIKeyAZDVGSXOKMUVIX-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.96
Rot. Bonds4

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

5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 28782690) has the molecular formula C8H10N4OS2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID28782690
Molecular FormulaC8H10N4OS2
Molecular Weight242.33 g/mol
Exact Mass242.03
IUPAC Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCCc1noc(CSc2cnc(N)s2)n1
InChIInChI=1S/C8H10N4OS2/c1-2-5-11-6(13-12-5)4-14-7-3-10-8(9)15-7/h3H,2,4H2,1H3,(H2,9,10)
InChIKeyAZDVGSXOKMUVIX-UHFFFAOYSA-N
XLogP1.96
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249999
5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250000
5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250103
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249825
5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 24706770
5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 28782682
3-ethyl-5-(pyrazin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 71866534
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249855
5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43249989
6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 43301137
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250473
5-hexadecylsulfanyl-1,3-thiazol-2-amine
CID 154328112

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 28782690) is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine is CCc1noc(CSc2cnc(N)s2)n1.
What is the InChIKey of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is AZDVGSXOKMUVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS2/c1-2-5-11-6(13-12-5)4-14-7-3-10-8(9)15-7/h3H,2,4H2,1H3,(H2,9,10).
What are the key properties of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 242.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28782690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).