[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol

C16H20N2OS — CID 104772118

IUPAC[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCc1csc(C(O)C2(CN)CCc3ccccc3C2)n1
InChIInChI=1S/C16H20N2OS/c1-11-9-20-15(18-11)14(19)16(10-17)7-6-12-4-2-3-5-13(12)8-16/h2-5,9,14,19H,6-8,10,17H2,1H3
InChIKeyHYBQIXVAWPARJF-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.62
Rot. Bonds3

About [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol

[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol (PubChem CID 104772118) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
PubChem CID104772118
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCc1csc(C(O)C2(CN)CCc3ccccc3C2)n1
InChIInChI=1S/C16H20N2OS/c1-11-9-20-15(18-11)14(19)16(10-17)7-6-12-4-2-3-5-13(12)8-16/h2-5,9,14,19H,6-8,10,17H2,1H3
InChIKeyHYBQIXVAWPARJF-UHFFFAOYSA-N
XLogP2.62
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol 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 [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol (CID 104772118) is [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol is Cc1csc(C(O)C2(CN)CCc3ccccc3C2)n1.
What is the InChIKey of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol?
The InChIKey is HYBQIXVAWPARJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-9-20-15(18-11)14(19)16(10-17)7-6-12-4-2-3-5-13(12)8-16/h2-5,9,14,19H,6-8,10,17H2,1H3.
What are the key properties of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol?
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol has a molecular weight of 288.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 104772118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).