N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C17H17N3OS2 — CID 4823077

IUPACN-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESN#CC1(NC(=O)CSc2nc(-c3ccccc3)cs2)CCCC1
InChIInChI=1S/C17H17N3OS2/c18-12-17(8-4-5-9-17)20-15(21)11-23-16-19-14(10-22-16)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11H2,(H,20,21)
InChIKeyCOXICQLCXBQUJU-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.85
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 4823077) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID4823077
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESN#CC1(NC(=O)CSc2nc(-c3ccccc3)cs2)CCCC1
InChIInChI=1S/C17H17N3OS2/c18-12-17(8-4-5-9-17)20-15(21)11-23-16-19-14(10-22-16)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11H2,(H,20,21)
InChIKeyCOXICQLCXBQUJU-UHFFFAOYSA-N
XLogP3.85
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-cyanocyclopentyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
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N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
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N-(3-cyanophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4799463
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7837077
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N-(methylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3959134
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7837089
2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclopentyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 4823077) is N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is N#CC1(NC(=O)CSc2nc(-c3ccccc3)cs2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is COXICQLCXBQUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c18-12-17(8-4-5-9-17)20-15(21)11-23-16-19-14(10-22-16)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11H2,(H,20,21).
What are the key properties of N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 343.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4823077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).