(1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

C15H19ClN2S — CID 81366225

IUPAC(1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C15H19ClN2S/c1-9(13-6-5-7-14(16)8-13)17-10(2)15-11(3)19-12(4)18-15/h5-10,17H,1-4H3/t9-,10?/m0/s1
InChIKeyRYYOPNMDLWYBHJ-RGURZIINSA-N
MW294.85 g/mol
LogP4.83
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

(1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 81366225) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID81366225
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C15H19ClN2S/c1-9(13-6-5-7-14(16)8-13)17-10(2)15-11(3)19-12(4)18-15/h5-10,17H,1-4H3/t9-,10?/m0/s1
InChIKeyRYYOPNMDLWYBHJ-RGURZIINSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81365478
1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43673199
1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43109283
(1R)-1-(4-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81352886
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 43535437
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 43100230
(1S)-1-(3-chlorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81366710
1-(3-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767416
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 81366225) is (1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)N[C@@H](C)c2cccc(Cl)c2)c(C)s1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is RYYOPNMDLWYBHJ-RGURZIINSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-9(13-6-5-7-14(16)8-13)17-10(2)15-11(3)19-12(4)18-15/h5-10,17H,1-4H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 294.85 g/mol, XLogP of 4.83, 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-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 81366225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).