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

C11H13N3OS3 — CID 113299107

IUPAC3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCC1SCCSC1c1noc(-c2ccsc2N)n1
InChIInChI=1S/C11H13N3OS3/c1-6-8(17-5-4-16-6)10-13-11(15-14-10)7-2-3-18-9(7)12/h2-3,6,8H,4-5,12H2,1H3
InChIKeySHWJUJTXECBQKH-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.29
Rot. Bonds2

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

3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 113299107) has the molecular formula C11H13N3OS3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID113299107
Molecular FormulaC11H13N3OS3
Molecular Weight299.45 g/mol
Exact Mass299.02
IUPAC Name3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCC1SCCSC1c1noc(-c2ccsc2N)n1
InChIInChI=1S/C11H13N3OS3/c1-6-8(17-5-4-16-6)10-13-11(15-14-10)7-2-3-18-9(7)12/h2-3,6,8H,4-5,12H2,1H3
InChIKeySHWJUJTXECBQKH-UHFFFAOYSA-N
XLogP3.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-difluoro-2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115385162
3-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103344373
4-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 115385116
3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928474
3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65400222
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65389774
4-methyl-2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136935066
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65395135
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 79659038
5-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706880
4-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
CID 115385301
3-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 115385359

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 113299107) is 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CC1SCCSC1c1noc(-c2ccsc2N)n1.
What is the InChIKey of 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is SHWJUJTXECBQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS3/c1-6-8(17-5-4-16-6)10-13-11(15-14-10)7-2-3-18-9(7)12/h2-3,6,8H,4-5,12H2,1H3.
What are the key properties of 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 299.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 113299107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).