(4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

C19H24N4S — CID 100522733

IUPAC(4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)[nH]1
InChIInChI=1S/C19H24N4S/c1-12-11-15(13(2)21-12)18-17(16-9-5-6-10-20-16)22-19(24)23(18)14-7-3-4-8-14/h5-6,9-11,14,17-18,21H,3-4,7-8H2,1-2H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyRHUKXHUWFNMWIH-ROUUACIJSA-N
MW340.50 g/mol
LogP3.94
Rot. Bonds3

About (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

(4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100522733) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name(4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID100522733
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name(4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)[nH]1
InChIInChI=1S/C19H24N4S/c1-12-11-15(13(2)21-12)18-17(16-9-5-6-10-20-16)22-19(24)23(18)14-7-3-4-8-14/h5-6,9-11,14,17-18,21H,3-4,7-8H2,1-2H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyRHUKXHUWFNMWIH-ROUUACIJSA-N
XLogP3.94
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222843
(4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100523215
(4S,5S)-1-cyclopentyl-5-[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525722
(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100523581
(4R,5S)-1-cyclopentyl-5-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525051
(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100522537
(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
1-(1,3-benzodioxol-5-yl)-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156961
(4S,5R)-1-cyclopentyl-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100522235
(4S,5S)-5-(4-bromothiophen-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100522485

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 100522733) is (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)[nH]1.
What is the InChIKey of (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is RHUKXHUWFNMWIH-ROUUACIJSA-N. The full InChI is InChI=1S/C19H24N4S/c1-12-11-15(13(2)21-12)18-17(16-9-5-6-10-20-16)22-19(24)23(18)14-7-3-4-8-14/h5-6,9-11,14,17-18,21H,3-4,7-8H2,1-2H3,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
(4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 340.50 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-cyclopentyl-5-(2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100522733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).