1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine

C9H15N3OS — CID 131219612

IUPAC1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCC1CCC(C(N)Cc2cnsn2)O1
InChIInChI=1S/C9H15N3OS/c1-6-2-3-9(13-6)8(10)4-7-5-11-14-12-7/h5-6,8-9H,2-4,10H2,1H3
InChIKeyUGMFTZNRRSSVEF-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.98
Rot. Bonds3

About 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine

1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine (PubChem CID 131219612) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine
PubChem CID131219612
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCC1CCC(C(N)Cc2cnsn2)O1
InChIInChI=1S/C9H15N3OS/c1-6-2-3-9(13-6)8(10)4-7-5-11-14-12-7/h5-6,8-9H,2-4,10H2,1H3
InChIKeyUGMFTZNRRSSVEF-UHFFFAOYSA-N
XLogP0.98
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyloxolan-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 81329760
2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115841479
2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 81330415
2-(3-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115840738
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101
1-(1,3-dioxolan-2-yl)-3-(1,2,5-thiadiazol-3-yl)propan-2-amine
CID 131227529
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine
CID 115849389
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115839233
4-methoxy-1-(5-methyloxolan-2-yl)butan-1-amine
CID 105054843
2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 130815238
(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine
CID 126985799

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine (CID 131219612) is 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine is CC1CCC(C(N)Cc2cnsn2)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine?
The InChIKey is UGMFTZNRRSSVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-2-3-9(13-6)8(10)4-7-5-11-14-12-7/h5-6,8-9H,2-4,10H2,1H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine?
1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine has a molecular weight of 213.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 131219612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).