5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine

C9H15N3OS2 — CID 86818645

IUPAC5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SC2CCOC2)s1
InChIInChI=1S/C9H15N3OS2/c1-2-4-10-8-11-12-9(15-8)14-7-3-5-13-6-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyWFPKJYJKXRHAMO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.24
Rot. Bonds5

About 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 86818645) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID86818645
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SC2CCOC2)s1
InChIInChI=1S/C9H15N3OS2/c1-2-4-10-8-11-12-9(15-8)14-7-3-5-13-6-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyWFPKJYJKXRHAMO-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 86818645) is 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(SC2CCOC2)s1.
What is the InChIKey of 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WFPKJYJKXRHAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-2-4-10-8-11-12-9(15-8)14-7-3-5-13-6-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86818645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).