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

C6H7N5OS2 — CID 1255637

IUPAC5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CSc2nnc(N)s2)no1
InChIInChI=1S/C6H7N5OS2/c1-3-8-4(11-12-3)2-13-6-10-9-5(7)14-6/h2H2,1H3,(H2,7,9)
InChIKeyHMSWOTWSSGTURI-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.10
Rot. Bonds3

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

5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 1255637) has the molecular formula C6H7N5OS2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID1255637
Molecular FormulaC6H7N5OS2
Molecular Weight229.29 g/mol
Exact Mass229.01
IUPAC Name5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CSc2nnc(N)s2)no1
InChIInChI=1S/C6H7N5OS2/c1-3-8-4(11-12-3)2-13-6-10-9-5(7)14-6/h2H2,1H3,(H2,7,9)
InChIKeyHMSWOTWSSGTURI-UHFFFAOYSA-N
XLogP1.10
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 99823918
5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 35363152
5-({5-[(5-Amino-1,3,4-thiadiazol-2-ylthio)methyl]-1,2,4-oxadiazol-3-yl}methylt hio)-1,3,4-thiadiazole-2-ylamine
CID 3591045
N-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18147224
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 18147284
N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18166440
N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18166508
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 24649693
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 24649702
N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24649724
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 24651835
5-[(3-Butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 25417363

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 1255637) is 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1nc(CSc2nnc(N)s2)no1.
What is the InChIKey of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HMSWOTWSSGTURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS2/c1-3-8-4(11-12-3)2-13-6-10-9-5(7)14-6/h2H2,1H3,(H2,7,9).
What are the key properties of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1255637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).