(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C14H18N2OS — CID 81371084

IUPAC(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc([C@H](C)NCc2scnc2C)cc1
InChIInChI=1S/C14H18N2OS/c1-10(12-4-6-13(17-3)7-5-12)15-8-14-11(2)16-9-18-14/h4-7,9-10,15H,8H2,1-3H3/t10-/m0/s1
InChIKeyJYXMSOJWAMMKOU-JTQLQIEISA-N
MW262.38 g/mol
LogP3.31
Rot. Bonds5

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

(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 81371084) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID81371084
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc([C@H](C)NCc2scnc2C)cc1
InChIInChI=1S/C14H18N2OS/c1-10(12-4-6-13(17-3)7-5-12)15-8-14-11(2)16-9-18-14/h4-7,9-10,15H,8H2,1-3H3/t10-/m0/s1
InChIKeyJYXMSOJWAMMKOU-JTQLQIEISA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63279811
1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280036
(1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 164629583
(1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 97231637
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 97048241
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370937
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
1-(5-ethylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280479
1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 75383153

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 81371084) is (1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is COc1ccc([C@H](C)NCc2scnc2C)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is JYXMSOJWAMMKOU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(12-4-6-13(17-3)7-5-12)15-8-14-11(2)16-9-18-14/h4-7,9-10,15H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81371084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).