N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine

C13H23N3OS — CID 105147324

IUPACN-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1snnc1CC)C1CCOCC1
InChIInChI=1S/C13H23N3OS/c1-3-7-14-12(10-5-8-17-9-6-10)13-11(4-2)15-16-18-13/h10,12,14H,3-9H2,1-2H3
InChIKeyWJCHPQDRFNTCGI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.57
Rot. Bonds6

About N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine

N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine (PubChem CID 105147324) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
PubChem CID105147324
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1snnc1CC)C1CCOCC1
InChIInChI=1S/C13H23N3OS/c1-3-7-14-12(10-5-8-17-9-6-10)13-11(4-2)15-16-18-13/h10,12,14H,3-9H2,1-2H3
InChIKeyWJCHPQDRFNTCGI-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
CID 105097477
1-cyclopropyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105157139
N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105157142
N-[(4-methylthiadiazol-5-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139063
1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105079515
N-[(5-ethylfuran-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62906032
N-[(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935693
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62385430
2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090310
3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176939
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine (CID 105147324) is N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine is CCCNC(c1snnc1CC)C1CCOCC1.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine?
The InChIKey is WJCHPQDRFNTCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-7-14-12(10-5-8-17-9-6-10)13-11(4-2)15-16-18-13/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine?
N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105147324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).