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

C11H10N4OS3 — CID 43250470

IUPAC4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1noc(-c2ccsc2)n1
InChIInChI=1S/C11H10N4OS3/c1-6-10(19-11(12)13-6)18-5-8-14-9(16-15-8)7-2-3-17-4-7/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyYICPBFNNUAYJGE-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.44
Rot. Bonds4

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

4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43250470) has the molecular formula C11H10N4OS3 and a molecular weight of 310.43 g/mol. Its IUPAC name is 4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43250470
Molecular FormulaC11H10N4OS3
Molecular Weight310.43 g/mol
Exact Mass310.00
IUPAC Name4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1noc(-c2ccsc2)n1
InChIInChI=1S/C11H10N4OS3/c1-6-10(19-11(12)13-6)18-5-8-14-9(16-15-8)7-2-3-17-4-7/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyYICPBFNNUAYJGE-UHFFFAOYSA-N
XLogP3.44
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 43250470) is 4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1SCc1noc(-c2ccsc2)n1.
What is the InChIKey of 4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is YICPBFNNUAYJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS3/c1-6-10(19-11(12)13-6)18-5-8-14-9(16-15-8)7-2-3-17-4-7/h2-4H,5H2,1H3,(H2,12,13).
What are the key properties of 4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine?
4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 310.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43250470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).