2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine

C14H18N2OS — CID 4031915

IUPAC2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCOc1c(C)cc(C)cc1-c1csc(CCN)n1
InChIInChI=1S/C14H18N2OS/c1-9-6-10(2)14(17-3)11(7-9)12-8-18-13(16-12)4-5-15/h6-8H,4-5,15H2,1-3H3
InChIKeyKRTNPHNOVDNOHB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.94
Rot. Bonds4

About 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine

2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 4031915) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID4031915
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCOc1c(C)cc(C)cc1-c1csc(CCN)n1
InChIInChI=1S/C14H18N2OS/c1-9-6-10(2)14(17-3)11(7-9)12-8-18-13(16-12)4-5-15/h6-8H,4-5,15H2,1-3H3
InChIKeyKRTNPHNOVDNOHB-UHFFFAOYSA-N
XLogP2.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 5039538
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103
2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3289571
2-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581
1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82302277
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4223787
2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3910621
2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82090307

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 4031915) is 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine is COc1c(C)cc(C)cc1-c1csc(CCN)n1.
What is the InChIKey of 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is KRTNPHNOVDNOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-6-10(2)14(17-3)11(7-9)12-8-18-13(16-12)4-5-15/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 4031915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).