3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine

C13H16N2OS — CID 115091894

IUPAC3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCOc1ccccc1-c1ncc(CCCN)s1
InChIInChI=1S/C13H16N2OS/c1-16-12-7-3-2-6-11(12)13-15-9-10(17-13)5-4-8-14/h2-3,6-7,9H,4-5,8,14H2,1H3
InChIKeyOABKHRPCDMGKMN-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.71
Rot. Bonds5

About 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine

3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115091894) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115091894
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCOc1ccccc1-c1ncc(CCCN)s1
InChIInChI=1S/C13H16N2OS/c1-16-12-7-3-2-6-11(12)13-15-9-10(17-13)5-4-8-14/h2-3,6-7,9H,4-5,8,14H2,1H3
InChIKeyOABKHRPCDMGKMN-UHFFFAOYSA-N
XLogP2.71
TPSA48.14 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-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

3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 115091896
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82303207
2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 82307426
3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine
CID 115092126
(3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol
CID 95897802
N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212394
5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
CID 72857210
(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 157011246
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82191248
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852089
(3R)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 99931750

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine (CID 115091894) is 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine is COc1ccccc1-c1ncc(CCCN)s1.
What is the InChIKey of 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is OABKHRPCDMGKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-12-7-3-2-6-11(12)13-15-9-10(17-13)5-4-8-14/h2-3,6-7,9H,4-5,8,14H2,1H3.
What are the key properties of 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine?
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 248.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115091894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).