(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine

C14H18N2S — CID 81364053

IUPAC(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1cccc([C@H](C)NC(C)c2nccs2)c1
InChIInChI=1S/C14H18N2S/c1-10-5-4-6-13(9-10)11(2)16-12(3)14-15-7-8-17-14/h4-9,11-12,16H,1-3H3/t11-,12?/m0/s1
InChIKeyOFWSFPFNZMXYLW-PXYINDEMSA-N
MW246.38 g/mol
LogP3.86
Rot. Bonds4

About (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine

(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 81364053) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID81364053
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1cccc([C@H](C)NC(C)c2nccs2)c1
InChIInChI=1S/C14H18N2S/c1-10-5-4-6-13(9-10)11(2)16-12(3)14-15-7-8-17-14/h4-9,11-12,16H,1-3H3/t11-,12?/m0/s1
InChIKeyOFWSFPFNZMXYLW-PXYINDEMSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81366500
(1S)-1-(3,4-dichlorophenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 96563349
5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706626
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335045
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81367068

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine (CID 81364053) is (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine is Cc1cccc([C@H](C)NC(C)c2nccs2)c1.
What is the InChIKey of (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is OFWSFPFNZMXYLW-PXYINDEMSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-5-4-6-13(9-10)11(2)16-12(3)14-15-7-8-17-14/h4-9,11-12,16H,1-3H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine?
(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81364053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).