N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C15H16N4O2S2 — CID 7957420

IUPACN-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nnc(C2CCCCC2)o1
InChIInChI=1S/C15H16N4O2S2/c16-8-11-6-7-22-14(11)17-12(20)9-23-15-19-18-13(21-15)10-4-2-1-3-5-10/h6-7,10H,1-5,9H2,(H,17,20)
InChIKeySHAGAFBSPQTUEU-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.78
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7957420) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID7957420
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nnc(C2CCCCC2)o1
InChIInChI=1S/C15H16N4O2S2/c16-8-11-6-7-22-14(11)17-12(20)9-23-15-19-18-13(21-15)10-4-2-1-3-5-10/h6-7,10H,1-5,9H2,(H,17,20)
InChIKeySHAGAFBSPQTUEU-UHFFFAOYSA-N
XLogP3.78
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2390774
N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682939
N-(3-cyanothiophen-2-yl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7817337
N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 55482854
N-(3-cyanothiophen-2-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8723936
N-(3-cyanothiophen-2-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536549
ethyl 2-[[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 16542025
2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62590738
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 7404958
2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
CID 2530615
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 51322495
N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide
CID 7957428

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 7957420) is N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is N#Cc1ccsc1NC(=O)CSc1nnc(C2CCCCC2)o1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SHAGAFBSPQTUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c16-8-11-6-7-22-14(11)17-12(20)9-23-15-19-18-13(21-15)10-4-2-1-3-5-10/h6-7,10H,1-5,9H2,(H,17,20).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7957420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).