(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C14H18N2OS — CID 92763777

IUPAC(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2csc(C)n2)cc1
InChIInChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-8-12-4-6-13(17-3)7-5-12/h4-7,9-10,15H,8H2,1-3H3/t10-/m0/s1
InChIKeyAOYGNKWYXJKAIN-JTQLQIEISA-N
MW262.38 g/mol
LogP3.31
Rot. Bonds5

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

(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 92763777) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID92763777
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2csc(C)n2)cc1
InChIInChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-8-12-4-6-13(17-3)7-5-12/h4-7,9-10,15H,8H2,1-3H3/t10-/m0/s1
InChIKeyAOYGNKWYXJKAIN-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

N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670104
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64542673
1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 86884942
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54944257
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103907022
6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one
CID 125177205

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of (1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 92763777) is (1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for (1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is COc1ccc(CN[C@@H](C)c2csc(C)n2)cc1.
What is the InChIKey of (1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is AOYGNKWYXJKAIN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-8-12-4-6-13(17-3)7-5-12/h4-7,9-10,15H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)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)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 92763777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).