1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine

C14H18N2OS — CID 113260329

IUPAC1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCOc1cccc(C(C)NC(C)c2cncs2)c1
InChIInChI=1S/C14H18N2OS/c1-10(12-5-4-6-13(7-12)17-3)16-11(2)14-8-15-9-18-14/h4-11,16H,1-3H3
InChIKeyRXZITUIACRSQSK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine

1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 113260329) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID113260329
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCOc1cccc(C(C)NC(C)c2cncs2)c1
InChIInChI=1S/C14H18N2OS/c1-10(12-5-4-6-13(7-12)17-3)16-11(2)14-8-15-9-18-14/h4-11,16H,1-3H3
InChIKeyRXZITUIACRSQSK-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine 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

(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113486927
(1R)-N-[1-(4-bromothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 107354466
(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81376210
1-(3-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863728
(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81375983
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 114985837
(1R)-N-[1-(furan-3-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376126

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (CID 113260329) is 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is COc1cccc(C(C)NC(C)c2cncs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is RXZITUIACRSQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(12-5-4-6-13(7-12)17-3)16-11(2)14-8-15-9-18-14/h4-11,16H,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 113260329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).