1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine

C11H21N3OS — CID 103032218

IUPAC1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCCc1nnsc1C(N)CCC(C)(C)OC
InChIInChI=1S/C11H21N3OS/c1-5-9-10(16-14-13-9)8(12)6-7-11(2,3)15-4/h8H,5-7,12H2,1-4H3
InChIKeyOJYUACAWMZAEIM-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.31
Rot. Bonds6

About 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine

1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103032218) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103032218
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCCc1nnsc1C(N)CCC(C)(C)OC
InChIInChI=1S/C11H21N3OS/c1-5-9-10(16-14-13-9)8(12)6-7-11(2,3)15-4/h8H,5-7,12H2,1-4H3
InChIKeyOJYUACAWMZAEIM-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine (CID 103032218) is 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine is CCc1nnsc1C(N)CCC(C)(C)OC.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is OJYUACAWMZAEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-5-9-10(16-14-13-9)8(12)6-7-11(2,3)15-4/h8H,5-7,12H2,1-4H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine?
1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 243.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103032218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).