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

C13H15ClN2S — CID 81366500

IUPAC(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C13H15ClN2S/c1-9(11-4-3-5-12(14)8-11)16-10(2)13-15-6-7-17-13/h3-10,16H,1-2H3/t9-,10?/m0/s1
InChIKeyJTPZZOYSYBHLEG-RGURZIINSA-N
MW266.80 g/mol
LogP4.21
Rot. Bonds4

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

(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 81366500) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID81366500
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C13H15ClN2S/c1-9(11-4-3-5-12(14)8-11)16-10(2)13-15-6-7-17-13/h3-10,16H,1-2H3/t9-,10?/m0/s1
InChIKeyJTPZZOYSYBHLEG-RGURZIINSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81364053
(1S)-1-(3,4-dichlorophenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 96563349
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60928680
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
(1S)-1-(3-chlorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81366710
5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706626
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 75441285
(1S)-1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81366906
1-(4-bromo-2-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82774634

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine (CID 81366500) is (1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine is CC(N[C@@H](C)c1cccc(Cl)c1)c1nccs1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is JTPZZOYSYBHLEG-RGURZIINSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9(11-4-3-5-12(14)8-11)16-10(2)13-15-6-7-17-13/h3-10,16H,1-2H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 266.80 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81366500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).