2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide

C15H13N3OS2 — CID 694360

IUPAC2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(N)=O
InChIInChI=1S/C15H13N3OS2/c16-7-11-10(13-2-1-5-20-13)6-12(9-3-4-9)18-15(11)21-8-14(17)19/h1-2,5-6,9H,3-4,8H2,(H2,17,19)
InChIKeyZLJVVAGJGBXEHR-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.14
Rot. Bonds5

About 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide

2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 694360) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
PubChem CID694360
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(N)=O
InChIInChI=1S/C15H13N3OS2/c16-7-11-10(13-2-1-5-20-13)6-12(9-3-4-9)18-15(11)21-8-14(17)19/h1-2,5-6,9H,3-4,8H2,(H2,17,19)
InChIKeyZLJVVAGJGBXEHR-UHFFFAOYSA-N
XLogP3.14
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[3-Cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
CID 670417
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 551775
6-Cyclopropyl-4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
CID 2308471
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486
Ethenyl 2-(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate
CID 657949
2-{[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
CID 657953
Ethyl 2-(3-cyano-6-(2-thienyl)-2-pyridylthio)propanoate
CID 657985
Methyl 2-(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate
CID 658101
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
CID 660521
2-[(3-Methylbenzyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile
CID 691796

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide (CID 694360) is 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide is N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(N)=O.
What is the InChIKey of 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is ZLJVVAGJGBXEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c16-7-11-10(13-2-1-5-20-13)6-12(9-3-4-9)18-15(11)21-8-14(17)19/h1-2,5-6,9H,3-4,8H2,(H2,17,19).
What are the key properties of 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 694360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).