2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide

C24H27N5OS — CID 133157449

IUPAC2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)[nH]1
InChIInChI=1S/C24H27N5OS/c1-14(2)23(30)27-18-11-9-17(13-15(18)3)29-22(20-10-8-16(4)26-20)21(28-24(29)31)19-7-5-6-12-25-19/h5-14,21-22,26H,1-4H3,(H,27,30)(H,28,31)
InChIKeyZQXBYZWPYNASSU-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.80
Rot. Bonds5

About 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide

2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide (PubChem CID 133157449) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
PubChem CID133157449
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)[nH]1
InChIInChI=1S/C24H27N5OS/c1-14(2)23(30)27-18-11-9-17(13-15(18)3)29-22(20-10-8-16(4)26-20)21(28-24(29)31)19-7-5-6-12-25-19/h5-14,21-22,26H,1-4H3,(H,27,30)(H,28,31)
InChIKeyZQXBYZWPYNASSU-UHFFFAOYSA-N
XLogP4.80
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-[(4R,5S)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 100552812
2-methoxy-N-[2-methyl-4-[(4S,5R)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100584097
2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 133157293
2-methyl-N-[2-methyl-4-[4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 133157420
2-methyl-N-[2-methyl-4-[5-(1-phenylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 133157397
(4S,5R)-1-(4-fluoro-3-methylphenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100503713
N-[4-[5-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methylpropanamide
CID 133157360
N-[4-[5-[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methylpropanamide
CID 133157352
N-[4-[5-[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methylpropanamide
CID 133157376
N-[4-[5-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methylpropanamide
CID 133157375
N-[4-[5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methylpropanamide
CID 133157444
N-[2-chloro-4-[(4S,5S)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methoxyacetamide
CID 100577932

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide (CID 133157449) is 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide is Cc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)[nH]1.
What is the InChIKey of 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?
The InChIKey is ZQXBYZWPYNASSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-14(2)23(30)27-18-11-9-17(13-15(18)3)29-22(20-10-8-16(4)26-20)21(28-24(29)31)19-7-5-6-12-25-19/h5-14,21-22,26H,1-4H3,(H,27,30)(H,28,31).
What are the key properties of 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?
2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide has a molecular weight of 433.58 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-[5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide is sourced from PubChem (CID 133157449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).