N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine

C13H16N2OS — CID 2462730

IUPACN-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C13H16N2OS/c1-10-12(11-6-4-3-5-7-11)15-13(17-10)14-8-9-16-2/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyDZRXGCJAVWWLID-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.18
Rot. Bonds5

About N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2462730) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID2462730
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C13H16N2OS/c1-10-12(11-6-4-3-5-7-11)15-13(17-10)14-8-9-16-2/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyDZRXGCJAVWWLID-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.18
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)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 2462730) is N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine is COCCNc1nc(-c2ccccc2)c(C)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is DZRXGCJAVWWLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-12(11-6-4-3-5-7-11)15-13(17-10)14-8-9-16-2/h3-7H,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2462730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).