5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine

C13H16N2OS — CID 79774216

IUPAC5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCCCc2ccccc2)s1
InChIInChI=1S/C13H16N2OS/c14-13-15-9-12(17-13)10-16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H2,14,15)
InChIKeyNYBHCLZQCGOHEG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.87
Rot. Bonds6

About 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine

5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774216) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine
PubChem CID79774216
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCCCc2ccccc2)s1
InChIInChI=1S/C13H16N2OS/c14-13-15-9-12(17-13)10-16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H2,14,15)
InChIKeyNYBHCLZQCGOHEG-UHFFFAOYSA-N
XLogP2.87
TPSA48.14 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine 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

5-(3-phenylpropoxymethyl)pyrazin-2-amine
CID 103058940
5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 79762020
5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
CID 79775250
benzyl 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylate
CID 123299686
4-(4-phenylbutoxymethyl)aniline
CID 114332885
N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558814
[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine
CID 106908261
2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate
CID 170550057
1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
CID 62137722
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine (CID 79774216) is 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine is Nc1ncc(COCCCc2ccccc2)s1.
What is the InChIKey of 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is NYBHCLZQCGOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-13-15-9-12(17-13)10-16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H2,14,15).
What are the key properties of 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine?
5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).