3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine

C16H17N3S — CID 63824853

IUPAC3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine
SMILESNc1cc2ccccc2cc1CNCCc1cscn1
InChIInChI=1S/C16H17N3S/c17-16-8-13-4-2-1-3-12(13)7-14(16)9-18-6-5-15-10-20-11-19-15/h1-4,7-8,10-11,18H,5-6,9,17H2
InChIKeyJSTCPJPLZOIPQN-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.21
Rot. Bonds5

About 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine

3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine (PubChem CID 63824853) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine
PubChem CID63824853
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine
SMILESNc1cc2ccccc2cc1CNCCc1cscn1
InChIInChI=1S/C16H17N3S/c17-16-8-13-4-2-1-3-12(13)7-14(16)9-18-6-5-15-10-20-11-19-15/h1-4,7-8,10-11,18H,5-6,9,17H2
InChIKeyJSTCPJPLZOIPQN-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 79713294
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 113305341
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one
CID 63829701
2-methyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 63824138
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829548
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830404
2-methyl-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 112554922
N-[(2-bromo-4-chlorophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 81498822
2-bromo-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829529
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
4-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]aniline
CID 63825390

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine?
The IUPAC name of 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine (CID 63824853) is 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine?
The canonical SMILES for 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine is Nc1cc2ccccc2cc1CNCCc1cscn1.
What is the InChIKey of 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine?
The InChIKey is JSTCPJPLZOIPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-16-8-13-4-2-1-3-12(13)7-14(16)9-18-6-5-15-10-20-11-19-15/h1-4,7-8,10-11,18H,5-6,9,17H2.
What are the key properties of 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine?
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine is sourced from PubChem (CID 63824853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).