3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C10H17N3OS — CID 80595435

IUPAC3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(C2CCCCS2)o1
InChIInChI=1S/C10H17N3OS/c11-6-3-5-9-12-13-10(14-9)8-4-1-2-7-15-8/h8H,1-7,11H2
InChIKeySCWDGKDMQWUJRE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.92
Rot. Bonds4

About 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 80595435) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID80595435
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(C2CCCCS2)o1
InChIInChI=1S/C10H17N3OS/c11-6-3-5-9-12-13-10(14-9)8-4-1-2-7-15-8/h8H,1-7,11H2
InChIKeySCWDGKDMQWUJRE-UHFFFAOYSA-N
XLogP1.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 80595435) is 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is NCCCc1nnc(C2CCCCS2)o1.
What is the InChIKey of 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is SCWDGKDMQWUJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-6-3-5-9-12-13-10(14-9)8-4-1-2-7-15-8/h8H,1-7,11H2.
What are the key properties of 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 80595435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).