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

C14H25N3OS — CID 83135957

IUPAC2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(CC2CCSCC2)o1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)15-7-4-12-16-17-13(18-12)10-11-5-8-19-9-6-11/h11,15H,4-10H2,1-3H3
InChIKeyPRVXIFIXQZMVRT-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.69
Rot. Bonds5

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

2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 83135957) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID83135957
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(CC2CCSCC2)o1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)15-7-4-12-16-17-13(18-12)10-11-5-8-19-9-6-11/h11,15H,4-10H2,1-3H3
InChIKeyPRVXIFIXQZMVRT-UHFFFAOYSA-N
XLogP2.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 83135957) is 2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CC(C)(C)NCCc1nnc(CC2CCSCC2)o1.
What is the InChIKey of 2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is PRVXIFIXQZMVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-14(2,3)15-7-4-12-16-17-13(18-12)10-11-5-8-19-9-6-11/h11,15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 83135957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).