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

C12H12N4OS2 — CID 62798415

IUPAC4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1nc(Cc2noc(-c3sc(N)cc3C)n2)cs1
InChIInChI=1S/C12H12N4OS2/c1-6-3-9(13)19-11(6)12-15-10(16-17-12)4-8-5-18-7(2)14-8/h3,5H,4,13H2,1-2H3
InChIKeyRMRQYHVOFURRET-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.04
Rot. Bonds3

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

4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 62798415) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID62798415
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1nc(Cc2noc(-c3sc(N)cc3C)n2)cs1
InChIInChI=1S/C12H12N4OS2/c1-6-3-9(13)19-11(6)12-15-10(16-17-12)4-8-5-18-7(2)14-8/h3,5H,4,13H2,1-2H3
InChIKeyRMRQYHVOFURRET-UHFFFAOYSA-N
XLogP3.04
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 62798415) is 4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1nc(Cc2noc(-c3sc(N)cc3C)n2)cs1.
What is the InChIKey of 4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is RMRQYHVOFURRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-6-3-9(13)19-11(6)12-15-10(16-17-12)4-8-5-18-7(2)14-8/h3,5H,4,13H2,1-2H3.
What are the key properties of 4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 292.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 62798415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).