5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C8H11N5OS2 — CID 47393522

IUPAC5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(CSc2nnc(N)s2)no1
InChIInChI=1S/C8H11N5OS2/c1-2-3-6-10-5(13-14-6)4-15-8-12-11-7(9)16-8/h2-4H2,1H3,(H2,9,11)
InChIKeyBHVABNSXVFPGOI-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.75
Rot. Bonds5

About 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 47393522) has the molecular formula C8H11N5OS2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID47393522
Molecular FormulaC8H11N5OS2
Molecular Weight257.34 g/mol
Exact Mass257.04
IUPAC Name5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(CSc2nnc(N)s2)no1
InChIInChI=1S/C8H11N5OS2/c1-2-3-6-10-5(13-14-6)4-15-8-12-11-7(9)16-8/h2-4H2,1H3,(H2,9,11)
InChIKeyBHVABNSXVFPGOI-UHFFFAOYSA-N
XLogP1.75
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 28782716
2-[[5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46529933
N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 36586419
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
CID 66228488
2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 115979966
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250473
5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9418012
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 16583200
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9199499
5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4962191

Frequently Asked Questions

What is the IUPAC name of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 47393522) is 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCc1nc(CSc2nnc(N)s2)no1.
What is the InChIKey of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BHVABNSXVFPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS2/c1-2-3-6-10-5(13-14-6)4-15-8-12-11-7(9)16-8/h2-4H2,1H3,(H2,9,11).
What are the key properties of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 47393522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).