1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C13H15ClN2OS — CID 65022179

IUPAC1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(C)c(C(C)N)s2)cc1Cl
InChIInChI=1S/C13H15ClN2OS/c1-7(15)12-8(2)16-13(18-12)9-4-5-11(17-3)10(14)6-9/h4-7H,15H2,1-3H3
InChIKeyGRMNQVBFZSPTKY-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.80
Rot. Bonds3

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

1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 65022179) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID65022179
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(C)c(C(C)N)s2)cc1Cl
InChIInChI=1S/C13H15ClN2OS/c1-7(15)12-8(2)16-13(18-12)9-4-5-11(17-3)10(14)6-9/h4-7H,15H2,1-3H3
InChIKeyGRMNQVBFZSPTKY-UHFFFAOYSA-N
XLogP3.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280524
N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022260
1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61287396
1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 114938151
1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289017
1-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 21051230
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61282663
1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 81440491
1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116884493
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280917
5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 167489856
1-[2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 65022179) is 1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is COc1ccc(-c2nc(C)c(C(C)N)s2)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is GRMNQVBFZSPTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-7(15)12-8(2)16-13(18-12)9-4-5-11(17-3)10(14)6-9/h4-7H,15H2,1-3H3.
What are the key properties of 1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 282.80 g/mol, XLogP of 3.80, 3 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)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 65022179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).