N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine

C9H16N4OS — CID 83105363

IUPACN-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1nncs1
InChIInChI=1S/C9H16N4OS/c1-2-10-5-8-6-14-4-3-13(8)9-12-11-7-15-9/h7-8,10H,2-6H2,1H3
InChIKeyNRIBRLHGIIHFHR-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.35
Rot. Bonds4

About N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine

N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine (PubChem CID 83105363) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine
PubChem CID83105363
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1nncs1
InChIInChI=1S/C9H16N4OS/c1-2-10-5-8-6-14-4-3-13(8)9-12-11-7-15-9/h7-8,10H,2-6H2,1H3
InChIKeyNRIBRLHGIIHFHR-UHFFFAOYSA-N
XLogP0.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83105398
N-[[4-(2-methylpyrimidin-4-yl)morpholin-3-yl]methyl]ethanamine
CID 83105196
N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine
CID 83105613
N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
CID 105368651
N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine
CID 83105734
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]ethanamine
CID 83105610
N-[[4-(5-tert-butyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
CID 107875507
N-[(4-quinazolin-2-ylmorpholin-3-yl)methyl]ethanamine
CID 114789779
4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
CID 83157051
N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105624
N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
CID 83106018
N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine
CID 103295537

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine (CID 83105363) is N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1c1nncs1.
What is the InChIKey of N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine?
The InChIKey is NRIBRLHGIIHFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-2-10-5-8-6-14-4-3-13(8)9-12-11-7-15-9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine?
N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine has a molecular weight of 228.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 83105363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).