5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine

C12H10N2OS — CID 115109627

IUPAC5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
SMILESCc1ccc2sc(-c3oncc3N)cc2c1
InChIInChI=1S/C12H10N2OS/c1-7-2-3-10-8(4-7)5-11(16-10)12-9(13)6-14-15-12/h2-6H,13H2,1H3
InChIKeyIHXIMHRENSXDCD-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds1

About 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine

5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine (PubChem CID 115109627) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
PubChem CID115109627
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
SMILESCc1ccc2sc(-c3oncc3N)cc2c1
InChIInChI=1S/C12H10N2OS/c1-7-2-3-10-8(4-7)5-11(16-10)12-9(13)6-14-15-12/h2-6H,13H2,1H3
InChIKeyIHXIMHRENSXDCD-UHFFFAOYSA-N
XLogP3.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-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

5-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109641
5-(5-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 115113685
5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109718
3-(5-methyl-1-benzothiophen-2-yl)pyridine
CID 122397868
3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 61406979
N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 114911177
5-(6-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 115113658
3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114911181
6,15-bis(5-methyl-1-benzothiophen-2-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione
CID 58224222
5-methyl-2-(2-methylpropyl)-1-benzothiophene
CID 70881038
dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
CID 7172332

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine (CID 115109627) is 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine is Cc1ccc2sc(-c3oncc3N)cc2c1.
What is the InChIKey of 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
The InChIKey is IHXIMHRENSXDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-2-3-10-8(4-7)5-11(16-10)12-9(13)6-14-15-12/h2-6H,13H2,1H3.
What are the key properties of 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine?
5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine has a molecular weight of 230.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 115109627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).