(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione

C19H16F6N2S — CID 16745776

IUPAC(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione
SMILESFC(F)(F)c1cc(CCN2C(=S)NC[C@@H]2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2S/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)6-7-27-16(11-26-17(27)28)13-4-2-1-3-5-13/h1-5,8-10,16H,6-7,11H2,(H,26,28)/t16-/m1/s1
InChIKeySLSRGZUSUKVQAR-MRXNPFEDSA-N
MW418.41 g/mol
LogP5.20
Rot. Bonds4

About (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione

(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione (PubChem CID 16745776) has the molecular formula C19H16F6N2S and a molecular weight of 418.41 g/mol. Its IUPAC name is (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione.

Molecular Properties

Compound Name(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione
PubChem CID16745776
Molecular FormulaC19H16F6N2S
Molecular Weight418.41 g/mol
Exact Mass418.09
IUPAC Name(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione
SMILESFC(F)(F)c1cc(CCN2C(=S)NC[C@@H]2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2S/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)6-7-27-16(11-26-17(27)28)13-4-2-1-3-5-13/h1-5,8-10,16H,6-7,11H2,(H,26,28)/t16-/m1/s1
InChIKeySLSRGZUSUKVQAR-MRXNPFEDSA-N
XLogP5.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Tpi 1361-17
CID 11305934
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(1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine
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4-(diphenylmethyl)-N-methylpiperazine-1-carbothioamide
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4-(diphenylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
CID 1075976
N-cyclohexyl-4-(diphenylmethyl)piperazine-1-carbothioamide
CID 1075977
[4-(Diphenylmethyl)piperazinyl][(2-methylprop-2-enyl)amino]methane-1-thione
CID 1076661
4-(diphenylmethyl)-N-propylpiperazine-1-carbothioamide
CID 3192043
(5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]imidazolidine-2-thione
CID 16197202

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione?
The IUPAC name of (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione (CID 16745776) is (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione.
What is the SMILES notation for (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione?
The canonical SMILES for (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione is FC(F)(F)c1cc(CCN2C(=S)NC[C@@H]2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione?
The InChIKey is SLSRGZUSUKVQAR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16F6N2S/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)6-7-27-16(11-26-17(27)28)13-4-2-1-3-5-13/h1-5,8-10,16H,6-7,11H2,(H,26,28)/t16-/m1/s1.
What are the key properties of (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione?
(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione has a molecular weight of 418.41 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenylimidazolidine-2-thione is sourced from PubChem (CID 16745776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).