N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine

C10H17N3OS — CID 105138589

IUPACN-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1csnn1
InChIInChI=1S/C10H17N3OS/c1-11-9(10-7-15-13-12-10)6-8-2-4-14-5-3-8/h7-9,11H,2-6H2,1H3
InChIKeySMRDGYSKIDHOIV-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.62
Rot. Bonds4

About N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine

N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105138589) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine
PubChem CID105138589
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1csnn1
InChIInChI=1S/C10H17N3OS/c1-11-9(10-7-15-13-12-10)6-8-2-4-14-5-3-8/h7-9,11H,2-6H2,1H3
InChIKeySMRDGYSKIDHOIV-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-3-yl)-1-(thiadiazol-4-yl)ethanol
CID 130914237
N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine
CID 62600624
oxolan-3-yl(thiadiazol-4-yl)methanol
CID 105097743
1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 103444184
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 105138796
N-methyl-2-(oxolan-3-yl)-1-pyrazin-2-ylethanamine
CID 103986939
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 107968191
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 114330407
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846765
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine
CID 114192203

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine (CID 105138589) is N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine is CNC(CC1CCOCC1)c1csnn1.
What is the InChIKey of N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is SMRDGYSKIDHOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-11-9(10-7-15-13-12-10)6-8-2-4-14-5-3-8/h7-9,11H,2-6H2,1H3.
What are the key properties of N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine?
N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105138589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).