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

C10H17N3OS — CID 105138817

IUPAC1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine
SMILESCc1nnsc1C(N)CC1CCOCC1
InChIInChI=1S/C10H17N3OS/c1-7-10(15-13-12-7)9(11)6-8-2-4-14-5-3-8/h8-9H,2-6,11H2,1H3
InChIKeyCLHVLDNKVAUZCH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.66
Rot. Bonds3

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

1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 105138817) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine
PubChem CID105138817
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine
SMILESCc1nnsc1C(N)CC1CCOCC1
InChIInChI=1S/C10H17N3OS/c1-7-10(15-13-12-7)9(11)6-8-2-4-14-5-3-8/h8-9H,2-6,11H2,1H3
InChIKeyCLHVLDNKVAUZCH-UHFFFAOYSA-N
XLogP1.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine (CID 105138817) is 1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine is Cc1nnsc1C(N)CC1CCOCC1.
What is the InChIKey of 1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is CLHVLDNKVAUZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-10(15-13-12-7)9(11)6-8-2-4-14-5-3-8/h8-9H,2-6,11H2,1H3.
What are the key properties of 1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine?
1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 105138817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).