N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline

C19H23F3N2S — CID 168866253

IUPACN-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NC[C@@H](Cc2nccs2)C2CCCCC2)cc1
InChIInChI=1S/C19H23F3N2S/c20-19(21,22)16-6-8-17(9-7-16)24-13-15(12-18-23-10-11-25-18)14-4-2-1-3-5-14/h6-11,14-15,24H,1-5,12-13H2/t15-/m1/s1
InChIKeyCSWXQGBBADUYMP-OAHLLOKOSA-N
MW368.47 g/mol
LogP6.01
Rot. Bonds6

About N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline

N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline (PubChem CID 168866253) has the molecular formula C19H23F3N2S and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline
PubChem CID168866253
Molecular FormulaC19H23F3N2S
Molecular Weight368.47 g/mol
Exact Mass368.15
IUPAC NameN-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NC[C@@H](Cc2nccs2)C2CCCCC2)cc1
InChIInChI=1S/C19H23F3N2S/c20-19(21,22)16-6-8-17(9-7-16)24-13-15(12-18-23-10-11-25-18)14-4-2-1-3-5-14/h6-11,14-15,24H,1-5,12-13H2/t15-/m1/s1
InChIKeyCSWXQGBBADUYMP-OAHLLOKOSA-N
XLogP6.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline (CID 168866253) is N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NC[C@@H](Cc2nccs2)C2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline?
The InChIKey is CSWXQGBBADUYMP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23F3N2S/c20-19(21,22)16-6-8-17(9-7-16)24-13-15(12-18-23-10-11-25-18)14-4-2-1-3-5-14/h6-11,14-15,24H,1-5,12-13H2/t15-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline?
N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline has a molecular weight of 368.47 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-3-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 168866253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).