2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine

C12H21N3OS — CID 105138823

IUPAC2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(N)CC1CCOCC1
InChIInChI=1S/C12H21N3OS/c1-2-3-11-12(17-15-14-11)10(13)8-9-4-6-16-7-5-9/h9-10H,2-8,13H2,1H3
InChIKeyMRVYVEVGIWETIB-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.31
Rot. Bonds5

About 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine

2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 105138823) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID105138823
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(N)CC1CCOCC1
InChIInChI=1S/C12H21N3OS/c1-2-3-11-12(17-15-14-11)10(13)8-9-4-6-16-7-5-9/h9-10H,2-8,13H2,1H3
InChIKeyMRVYVEVGIWETIB-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine (CID 105138823) is 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(N)CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is MRVYVEVGIWETIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-3-11-12(17-15-14-11)10(13)8-9-4-6-16-7-5-9/h9-10H,2-8,13H2,1H3.
What are the key properties of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 255.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105138823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).