N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine

C13H16N2OS — CID 16734342

IUPACN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)C(NC1=NCCS1)CC2
InChIInChI=1S/C13H16N2OS/c1-16-10-4-2-9-3-5-12(11(9)8-10)15-13-14-6-7-17-13/h2,4,8,12H,3,5-7H2,1H3,(H,14,15)
InChIKeyLAXYNMSLKGBTIB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.37
Rot. Bonds2

About N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine

N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 16734342) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID16734342
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)C(NC1=NCCS1)CC2
InChIInChI=1S/C13H16N2OS/c1-16-10-4-2-9-3-5-12(11(9)8-10)15-13-14-6-7-17-13/h2,4,8,12H,3,5-7H2,1H3,(H,14,15)
InChIKeyLAXYNMSLKGBTIB-UHFFFAOYSA-N
XLogP2.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 16734342) is N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc2c(c1)C(NC1=NCCS1)CC2.
What is the InChIKey of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LAXYNMSLKGBTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-10-4-2-9-3-5-12(11(9)8-10)15-13-14-6-7-17-13/h2,4,8,12H,3,5-7H2,1H3,(H,14,15).
What are the key properties of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 16734342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).