1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine

C14H17ClN2OS — CID 65022560

IUPAC1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2ccc(OC)c(Cl)c2)s1
InChIInChI=1S/C14H17ClN2OS/c1-4-16-9(2)13-8-17-14(19-13)10-5-6-12(18-3)11(15)7-10/h5-9,16H,4H2,1-3H3
InChIKeyLTBZDURJYBMZLC-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.14
Rot. Bonds5

About 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 65022560) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID65022560
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2ccc(OC)c(Cl)c2)s1
InChIInChI=1S/C14H17ClN2OS/c1-4-16-9(2)13-8-17-14(19-13)10-5-6-12(18-3)11(15)7-10/h5-9,16H,4H2,1-3H3
InChIKeyLTBZDURJYBMZLC-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine 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-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022602
1-[2-(7-chloro-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652293
1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102445
1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62651933
N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102639
N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 62653180
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652298
N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651552
N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022260
N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine
CID 62651759
1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
CID 107622673
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62653744

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine (CID 65022560) is 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(-c2ccc(OC)c(Cl)c2)s1.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is LTBZDURJYBMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-4-16-9(2)13-8-17-14(19-13)10-5-6-12(18-3)11(15)7-10/h5-9,16H,4H2,1-3H3.
What are the key properties of 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 296.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 65022560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).