N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine

C16H16N2OS — CID 8962162

IUPACN-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C16H16N2OS/c1-19-10-9-17-16-18-15(11-20-16)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyALCSZGPQJZTSNT-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.02
Rot. Bonds5

About N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine

N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine (PubChem CID 8962162) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
PubChem CID8962162
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C16H16N2OS/c1-19-10-9-17-16-18-15(11-20-16)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyALCSZGPQJZTSNT-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine (CID 8962162) is N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine is COCCNc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine?
The InChIKey is ALCSZGPQJZTSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-19-10-9-17-16-18-15(11-20-16)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine has a molecular weight of 284.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 8962162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).