(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one

C19H19N3OS2 — CID 135010471

IUPAC(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESC[C@H]1C(=O)N(CCc2c[nH]c3ccccc23)C(=S)N1Cc1cccs1
InChIInChI=1S/C19H19N3OS2/c1-13-18(23)21(19(24)22(13)12-15-5-4-10-25-15)9-8-14-11-20-17-7-3-2-6-16(14)17/h2-7,10-11,13,20H,8-9,12H2,1H3/t13-/m0/s1
InChIKeyXIJXAOJGIFNQER-ZDUSSCGKSA-N
MW369.51 g/mol
LogP3.79
Rot. Bonds5

About (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one

(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one (PubChem CID 135010471) has the molecular formula C19H19N3OS2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
PubChem CID135010471
Molecular FormulaC19H19N3OS2
Molecular Weight369.51 g/mol
Exact Mass369.10
IUPAC Name(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESC[C@H]1C(=O)N(CCc2c[nH]c3ccccc23)C(=S)N1Cc1cccs1
InChIInChI=1S/C19H19N3OS2/c1-13-18(23)21(19(24)22(13)12-15-5-4-10-25-15)9-8-14-11-20-17-7-3-2-6-16(14)17/h2-7,10-11,13,20H,8-9,12H2,1H3/t13-/m0/s1
InChIKeyXIJXAOJGIFNQER-ZDUSSCGKSA-N
XLogP3.79
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide
CID 53494268
N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801174
(5S)-5-benzyl-3-[2-(1H-indol-3-yl)ethyl]-2-sulfanylideneimidazolidin-4-one
CID 135010401
2-(1H-indol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 31328068
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride
CID 44664324
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione
CID 167774874
N-ethyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40854853
N-ethyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40854849
3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552145
5-(1,3-dithiolan-2-ylidene)-3-[2-(1H-indol-3-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 102199025

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one (CID 135010471) is (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one is C[C@H]1C(=O)N(CCc2c[nH]c3ccccc23)C(=S)N1Cc1cccs1.
What is the InChIKey of (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
The InChIKey is XIJXAOJGIFNQER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-13-18(23)21(19(24)22(13)12-15-5-4-10-25-15)9-8-14-11-20-17-7-3-2-6-16(14)17/h2-7,10-11,13,20H,8-9,12H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one?
(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one has a molecular weight of 369.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 135010471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).