(4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

C22H28N4S — CID 100523215

IUPAC(4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CC1
InChIInChI=1S/C22H28N4S/c1-14-13-18(15(2)25(14)17-10-11-17)21-20(19-9-5-6-12-23-19)24-22(27)26(21)16-7-3-4-8-16/h5-6,9,12-13,16-17,20-21H,3-4,7-8,10-11H2,1-2H3,(H,24,27)/t20-,21-/m1/s1
InChIKeyUKLXAHDULKAEIA-NHCUHLMSSA-N
MW380.56 g/mol
LogP4.75
Rot. Bonds4

About (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

(4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100523215) has the molecular formula C22H28N4S and a molecular weight of 380.56 g/mol. Its IUPAC name is (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name(4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID100523215
Molecular FormulaC22H28N4S
Molecular Weight380.56 g/mol
Exact Mass380.20
IUPAC Name(4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CC1
InChIInChI=1S/C22H28N4S/c1-14-13-18(15(2)25(14)17-10-11-17)21-20(19-9-5-6-12-23-19)24-22(27)26(21)16-7-3-4-8-16/h5-6,9,12-13,16-17,20-21H,3-4,7-8,10-11H2,1-2H3,(H,24,27)/t20-,21-/m1/s1
InChIKeyUKLXAHDULKAEIA-NHCUHLMSSA-N
XLogP4.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.75
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

(4S,5S)-1-cyclopentyl-5-[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525722
5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157843
5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222064
(4R,5S)-1-cyclopentyl-5-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525051
(4R,5R)-5-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100524733
(4S,5R)-1-cyclopentyl-5-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100524075
1-cyclohexyl-5-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222768
(4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100522733
5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(4-propan-2-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158752
(4S,5S)-1-cyclopentyl-5-[1-(2-ethyl-6-methylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525653
(4S,5R)-1-(4-cyclopentyloxyphenyl)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100604629
(4S,5S)-5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-cyclopentyloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100605558

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 100523215) is (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CC1.
What is the InChIKey of (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is UKLXAHDULKAEIA-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H28N4S/c1-14-13-18(15(2)25(14)17-10-11-17)21-20(19-9-5-6-12-23-19)24-22(27)26(21)16-7-3-4-8-16/h5-6,9,12-13,16-17,20-21H,3-4,7-8,10-11H2,1-2H3,(H,24,27)/t20-,21-/m1/s1.
What are the key properties of (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
(4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 380.56 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100523215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).