4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine

C12H23N3OS — CID 103031758

IUPAC4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
SMILESCCCc1nnsc1C(N)CCC(C)(C)OC
InChIInChI=1S/C12H23N3OS/c1-5-6-10-11(17-15-14-10)9(13)7-8-12(2,3)16-4/h9H,5-8,13H2,1-4H3
InChIKeyXLGKMYFDPVAWDY-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.70
Rot. Bonds7

About 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine

4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine (PubChem CID 103031758) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
PubChem CID103031758
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
SMILESCCCc1nnsc1C(N)CCC(C)(C)OC
InChIInChI=1S/C12H23N3OS/c1-5-6-10-11(17-15-14-10)9(13)7-8-12(2,3)16-4/h9H,5-8,13H2,1-4H3
InChIKeyXLGKMYFDPVAWDY-UHFFFAOYSA-N
XLogP2.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine (CID 103031758) is 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine is CCCc1nnsc1C(N)CCC(C)(C)OC.
What is the InChIKey of 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is XLGKMYFDPVAWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-6-10-11(17-15-14-10)9(13)7-8-12(2,3)16-4/h9H,5-8,13H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 103031758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).