2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide

C17H19N5OS — CID 7225455

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CSc2nc(-c3ccccc3)cn2N)CCCC1
InChIInChI=1S/C17H19N5OS/c18-12-17(8-4-5-9-17)21-15(23)11-24-16-20-14(10-22(16)19)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11,19H2,(H,21,23)
InChIKeyCLDFPRFSGIASFJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.31
Rot. Bonds5

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide (PubChem CID 7225455) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
PubChem CID7225455
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CSc2nc(-c3ccccc3)cn2N)CCCC1
InChIInChI=1S/C17H19N5OS/c18-12-17(8-4-5-9-17)21-15(23)11-24-16-20-14(10-22(16)19)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11,19H2,(H,21,23)
InChIKeyCLDFPRFSGIASFJ-UHFFFAOYSA-N
XLogP2.31
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4823077
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
N-(1-cyanocyclopentyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416497
N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 55539110
2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclopentyl)acetamide
CID 27348258
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 4828697
N-(1-cyanocyclopentyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42980248
N-(1-cyanocyclohexyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29349191
N-(1-cyanocyclohexyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
CID 4819556
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834274
N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4819488
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 4822981

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide (CID 7225455) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)CSc2nc(-c3ccccc3)cn2N)CCCC1.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is CLDFPRFSGIASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c18-12-17(8-4-5-9-17)21-15(23)11-24-16-20-14(10-22(16)19)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11,19H2,(H,21,23).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 7225455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).