1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine

C21H18N2S — CID 90124709

IUPAC1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2nc(CNCc3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C21H18N2S/c1-2-8-17(9-3-1)21-23-19(15-24-21)14-22-13-18-11-6-10-16-7-4-5-12-20(16)18/h1-12,15,22H,13-14H2
InChIKeyKGWRQPDUBPZXME-UHFFFAOYSA-N
MW330.46 g/mol
LogP5.25
Rot. Bonds5

About 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine

1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 90124709) has the molecular formula C21H18N2S and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID90124709
Molecular FormulaC21H18N2S
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC Name1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2nc(CNCc3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C21H18N2S/c1-2-8-17(9-3-1)21-23-19(15-24-21)14-22-13-18-11-6-10-16-7-4-5-12-20(16)18/h1-12,15,22H,13-14H2
InChIKeyKGWRQPDUBPZXME-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921704
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
4-[[(2-phenyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436762
1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 10782345
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
CID 42529390

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine (CID 90124709) is 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine is c1ccc(-c2nc(CNCc3cccc4ccccc34)cs2)cc1.
What is the InChIKey of 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is KGWRQPDUBPZXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S/c1-2-8-17(9-3-1)21-23-19(15-24-21)14-22-13-18-11-6-10-16-7-4-5-12-20(16)18/h1-12,15,22H,13-14H2.
What are the key properties of 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 330.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 90124709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).