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

C15H19FN2S — CID 81365478

IUPAC(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2cccc(F)c2)c(C)s1
InChIInChI=1S/C15H19FN2S/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
InChIKeySNWGDSZBLZTDRW-RGURZIINSA-N
MW278.40 g/mol
LogP4.31
Rot. Bonds4

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

(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 81365478) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is (1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
PubChem CID81365478
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCc1nc(C(C)N[C@@H](C)c2cccc(F)c2)c(C)s1
InChIInChI=1S/C15H19FN2S/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
InChIKeySNWGDSZBLZTDRW-RGURZIINSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(1S)-1-(3-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81365467
(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81367633
(1R)-1-(4-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81352886
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
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
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
2-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-fluoroaniline
CID 43119299

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine (CID 81365478) is (1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine is Cc1nc(C(C)N[C@@H](C)c2cccc(F)c2)c(C)s1.
What is the InChIKey of (1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is SNWGDSZBLZTDRW-RGURZIINSA-N. The full InChI is InChI=1S/C15H19FN2S/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)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81365478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).