7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one

C13H12N2OS — CID 163359622

IUPAC7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1csc(-c2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C13H12N2OS/c14-12-7-17-13(15-12)9-5-4-8-2-1-3-11(16)10(8)6-9/h4-7H,1-3,14H2
InChIKeyRGPHVRGQJFYTLQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.91
Rot. Bonds1

About 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one

7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 163359622) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID163359622
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1csc(-c2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C13H12N2OS/c14-12-7-17-13(15-12)9-5-4-8-2-1-3-11(16)10(8)6-9/h4-7H,1-3,14H2
InChIKeyRGPHVRGQJFYTLQ-UHFFFAOYSA-N
XLogP2.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one 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 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one (CID 163359622) is 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one is Nc1csc(-c2ccc3c(c2)C(=O)CCC3)n1.
What is the InChIKey of 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RGPHVRGQJFYTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-12-7-17-13(15-12)9-5-4-8-2-1-3-11(16)10(8)6-9/h4-7H,1-3,14H2.
What are the key properties of 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one?
7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 244.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 163359622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).