4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine

C13H15N3OS — CID 62193615

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccc2c(c1)CCC2
InChIInChI=1S/C13H15N3OS/c1-14-13-12(15-16-18-13)8-17-11-6-5-9-3-2-4-10(9)7-11/h5-7,14H,2-4,8H2,1H3
InChIKeyOEUJRMSKHVRJBN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.65
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine (PubChem CID 62193615) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine
PubChem CID62193615
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccc2c(c1)CCC2
InChIInChI=1S/C13H15N3OS/c1-14-13-12(15-16-18-13)8-17-11-6-5-9-3-2-4-10(9)7-11/h5-7,14H,2-4,8H2,1H3
InChIKeyOEUJRMSKHVRJBN-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine (CID 62193615) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine is CNc1snnc1COc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine?
The InChIKey is OEUJRMSKHVRJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-14-13-12(15-16-18-13)8-17-11-6-5-9-3-2-4-10(9)7-11/h5-7,14H,2-4,8H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine has a molecular weight of 261.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62193615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).