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

C17H20N4S — CID 100522537

IUPAC(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
SMILESS=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1C1CCCC1
InChIInChI=1S/C17H20N4S/c22-17-20-15(13-8-3-4-10-18-13)16(14-9-5-11-19-14)21(17)12-6-1-2-7-12/h3-5,8-12,15-16,19H,1-2,6-7H2,(H,20,22)/t15-,16+/m1/s1
InChIKeyCEYGYERERDSESJ-CVEARBPZSA-N
MW312.44 g/mol
LogP3.32
Rot. Bonds3

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

(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione (PubChem CID 100522537) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
PubChem CID100522537
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
SMILESS=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1C1CCCC1
InChIInChI=1S/C17H20N4S/c22-17-20-15(13-8-3-4-10-18-13)16(14-9-5-11-19-14)21(17)12-6-1-2-7-12/h3-5,8-12,15-16,19H,1-2,6-7H2,(H,20,22)/t15-,16+/m1/s1
InChIKeyCEYGYERERDSESJ-CVEARBPZSA-N
XLogP3.32
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione with MolForge

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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-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100522235
(4S,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525879
1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133222689
(4R,5S)-1-cyclopentyl-5-(1-cyclopentylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100527705
5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133241949
(4R,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525870
(4S,5R)-5-(5-bromothiophen-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100522462
(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100523581
1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133221413
1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133221576
(4R,5R)-5-(4-bromothiophen-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100522494

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The IUPAC name of (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione (CID 100522537) is (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione.
What is the SMILES notation for (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The canonical SMILES for (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione is S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1C1CCCC1.
What is the InChIKey of (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The InChIKey is CEYGYERERDSESJ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H20N4S/c22-17-20-15(13-8-3-4-10-18-13)16(14-9-5-11-19-14)21(17)12-6-1-2-7-12/h3-5,8-12,15-16,19H,1-2,6-7H2,(H,20,22)/t15-,16+/m1/s1.
What are the key properties of (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione has a molecular weight of 312.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione is sourced from PubChem (CID 100522537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).