2-(2-phenylmethoxyethyl)-1,3-thiazole

C12H13NOS — CID 131048926

IUPAC2-(2-phenylmethoxyethyl)-1,3-thiazole
SMILESc1ccc(COCCc2nccs2)cc1
InChIInChI=1S/C12H13NOS/c1-2-4-11(5-3-1)10-14-8-6-12-13-7-9-15-12/h1-5,7,9H,6,8,10H2
InChIKeyLBCDRYKCXFTVEM-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-phenylmethoxyethyl)-1,3-thiazole

2-(2-phenylmethoxyethyl)-1,3-thiazole (PubChem CID 131048926) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-phenylmethoxyethyl)-1,3-thiazole
PubChem CID131048926
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-(2-phenylmethoxyethyl)-1,3-thiazole
SMILESc1ccc(COCCc2nccs2)cc1
InChIInChI=1S/C12H13NOS/c1-2-4-11(5-3-1)10-14-8-6-12-13-7-9-15-12/h1-5,7,9H,6,8,10H2
InChIKeyLBCDRYKCXFTVEM-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-phenylmethoxyethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2-phenylmethoxyethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride
CID 140526366
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
9,10-bis(2-phenylmethoxyethoxy)anthracene
CID 139845395
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
4-chloro-2-(2-phenylmethoxyethyl)pyrimidine
CID 130968906
5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole
CID 10766519
benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate
CID 57242368
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 141339180
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethyl)-1,3-thiazole?
The IUPAC name of 2-(2-phenylmethoxyethyl)-1,3-thiazole (CID 131048926) is 2-(2-phenylmethoxyethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-phenylmethoxyethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-phenylmethoxyethyl)-1,3-thiazole is c1ccc(COCCc2nccs2)cc1.
What is the InChIKey of 2-(2-phenylmethoxyethyl)-1,3-thiazole?
The InChIKey is LBCDRYKCXFTVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-4-11(5-3-1)10-14-8-6-12-13-7-9-15-12/h1-5,7,9H,6,8,10H2.
What are the key properties of 2-(2-phenylmethoxyethyl)-1,3-thiazole?
2-(2-phenylmethoxyethyl)-1,3-thiazole has a molecular weight of 219.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethyl)-1,3-thiazole is sourced from PubChem (CID 131048926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).