1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C13H16N2OS — CID 62049717

IUPAC1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cscn2)cc1
InChIInChI=1S/C13H16N2OS/c1-10(14-7-12-8-17-9-15-12)11-3-5-13(16-2)6-4-11/h3-6,8-10,14H,7H2,1-2H3
InChIKeyIWFFMIYBNIZXTR-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.00
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 62049717) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID62049717
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cscn2)cc1
InChIInChI=1S/C13H16N2OS/c1-10(14-7-12-8-17-9-15-12)11-3-5-13(16-2)6-4-11/h3-6,8-10,14H,7H2,1-2H3
InChIKeyIWFFMIYBNIZXTR-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81376055
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
2-[4-[1-(1,3-thiazol-4-ylmethylamino)ethyl]phenoxy]acetonitrile
CID 63378738
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 47067965
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60698178

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 62049717) is 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is COc1ccc(C(C)NCc2cscn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is IWFFMIYBNIZXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(14-7-12-8-17-9-15-12)11-3-5-13(16-2)6-4-11/h3-6,8-10,14H,7H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 248.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 62049717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).