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

C14H18N2OS — CID 20982818

IUPAC1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(OCc2nc(C)c(C(C)N)s2)cc1
InChIInChI=1S/C14H18N2OS/c1-9-4-6-12(7-5-9)17-8-13-16-11(3)14(18-13)10(2)15/h4-7,10H,8,15H2,1-3H3
InChIKeyNUWCPROJPDCNGU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.36
Rot. Bonds4

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

1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 20982818) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID20982818
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(OCc2nc(C)c(C(C)N)s2)cc1
InChIInChI=1S/C14H18N2OS/c1-9-4-6-12(7-5-9)17-8-13-16-11(3)14(18-13)10(2)15/h4-7,10H,8,15H2,1-3H3
InChIKeyNUWCPROJPDCNGU-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62331691
1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434313
1-[2-[(2,4-dichlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 20982828
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82426004
1-[4-tert-butyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82438755
1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434130
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82001527
4-methyl-2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 4980780
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436466

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine (CID 20982818) is 1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine is Cc1ccc(OCc2nc(C)c(C(C)N)s2)cc1.
What is the InChIKey of 1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is NUWCPROJPDCNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-4-6-12(7-5-9)17-8-13-16-11(3)14(18-13)10(2)15/h4-7,10H,8,15H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 20982818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).