2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile

C6H3N5OS2 — CID 134120233

IUPAC2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(-c2csnn2)o1
InChIInChI=1S/C6H3N5OS2/c7-1-2-13-6-10-9-5(12-6)4-3-14-11-8-4/h3H,2H2
InChIKeyFZUZJUZRXROADM-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.20
Rot. Bonds3

About 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile

2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (PubChem CID 134120233) has the molecular formula C6H3N5OS2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
PubChem CID134120233
Molecular FormulaC6H3N5OS2
Molecular Weight225.26 g/mol
Exact Mass224.98
IUPAC Name2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(-c2csnn2)o1
InChIInChI=1S/C6H3N5OS2/c7-1-2-13-6-10-9-5(12-6)4-3-14-11-8-4/h3H,2H2
InChIKeyFZUZJUZRXROADM-UHFFFAOYSA-N
XLogP1.20
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 65216105
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7661147
2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 137090733
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7534211
2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7189833
2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 3420918
2-[[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl thiocyanate
CID 165344518
2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 139222143
3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile
CID 7533885
2-[[5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 3171553
3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 112571871
2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 35766151

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (CID 134120233) is 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is N#CCSc1nnc(-c2csnn2)o1.
What is the InChIKey of 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The InChIKey is FZUZJUZRXROADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N5OS2/c7-1-2-13-6-10-9-5(12-6)4-3-14-11-8-4/h3H,2H2.
What are the key properties of 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 225.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 134120233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).