(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine

C13H15ClN2S — CID 103914683

IUPAC(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1Cl)c1cncs1
InChIInChI=1S/C13H15ClN2S/c1-9(11-5-3-4-6-12(11)14)16-10(2)13-7-15-8-17-13/h3-10,16H,1-2H3/t9-,10?/m0/s1
InChIKeyBQGSFMBTEOLFJS-RGURZIINSA-N
MW266.80 g/mol
LogP4.21
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine

(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 103914683) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID103914683
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1Cl)c1cncs1
InChIInChI=1S/C13H15ClN2S/c1-9(11-5-3-4-6-12(11)14)16-10(2)13-7-15-8-17-13/h3-10,16H,1-2H3/t9-,10?/m0/s1
InChIKeyBQGSFMBTEOLFJS-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

(1R)-1-(2-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103906295
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 115710628
(1R)-1-(furan-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 104865982
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113486927
(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 114985837
1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893469
4-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115704547
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
1-(3-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115713565

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (CID 103914683) is (1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is CC(N[C@@H](C)c1ccccc1Cl)c1cncs1.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is BQGSFMBTEOLFJS-RGURZIINSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9(11-5-3-4-6-12(11)14)16-10(2)13-7-15-8-17-13/h3-10,16H,1-2H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-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-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 103914683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).