N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine

C19H20N2OS — CID 53272680

IUPACN-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESc1ccc2c(-c3cnc(CNCC4CCCO4)s3)cccc2c1
InChIInChI=1S/C19H20N2OS/c1-2-8-16-14(5-1)6-3-9-17(16)18-12-21-19(23-18)13-20-11-15-7-4-10-22-15/h1-3,5-6,8-9,12,15,20H,4,7,10-11,13H2
InChIKeyXWENKKODLVJXJY-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.23
Rot. Bonds5

About N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 53272680) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID53272680
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESc1ccc2c(-c3cnc(CNCC4CCCO4)s3)cccc2c1
InChIInChI=1S/C19H20N2OS/c1-2-8-16-14(5-1)6-3-9-17(16)18-12-21-19(23-18)13-20-11-15-7-4-10-22-15/h1-3,5-6,8-9,12,15,20H,4,7,10-11,13H2
InChIKeyXWENKKODLVJXJY-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine 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

N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 53272918
N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 53272137
1,1-dimethyl-2-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]hydrazine
CID 53272757
1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
CID 55061002
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847821
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55023246
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2969882
1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
1-(oxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284247

Frequently Asked Questions

What is the IUPAC name of N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 53272680) is N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine is c1ccc2c(-c3cnc(CNCC4CCCO4)s3)cccc2c1.
What is the InChIKey of N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XWENKKODLVJXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-8-16-14(5-1)6-3-9-17(16)18-12-21-19(23-18)13-20-11-15-7-4-10-22-15/h1-3,5-6,8-9,12,15,20H,4,7,10-11,13H2.
What are the key properties of N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 324.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 53272680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).