4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine

C13H16N2OS — CID 131025758

IUPAC4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine
SMILESCc1csc(NCCOCc2ccccc2)n1
InChIInChI=1S/C13H16N2OS/c1-11-10-17-13(15-11)14-7-8-16-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,14,15)
InChIKeyZXZCYINZFLUEGP-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.08
Rot. Bonds6

About 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine

4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine (PubChem CID 131025758) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine
PubChem CID131025758
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine
SMILESCc1csc(NCCOCc2ccccc2)n1
InChIInChI=1S/C13H16N2OS/c1-11-10-17-13(15-11)14-7-8-16-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,14,15)
InChIKeyZXZCYINZFLUEGP-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.08
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 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine (CID 131025758) is 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine is Cc1csc(NCCOCc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is ZXZCYINZFLUEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-11-10-17-13(15-11)14-7-8-16-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine?
4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 131025758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).