3-(thiatriazol-5-ylmethyl)morpholine

C6H10N4OS — CID 116985755

IUPAC3-(thiatriazol-5-ylmethyl)morpholine
SMILESC1COCC(Cc2nnns2)N1
InChIInChI=1S/C6H10N4OS/c1-2-11-4-5(7-1)3-6-8-9-10-12-6/h5,7H,1-4H2
InChIKeyLJHNUDUMDZNXIF-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.54
Rot. Bonds2

About 3-(thiatriazol-5-ylmethyl)morpholine

3-(thiatriazol-5-ylmethyl)morpholine (PubChem CID 116985755) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(thiatriazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(thiatriazol-5-ylmethyl)morpholine
PubChem CID116985755
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name3-(thiatriazol-5-ylmethyl)morpholine
SMILESC1COCC(Cc2nnns2)N1
InChIInChI=1S/C6H10N4OS/c1-2-11-4-5(7-1)3-6-8-9-10-12-6/h5,7H,1-4H2
InChIKeyLJHNUDUMDZNXIF-UHFFFAOYSA-N
XLogP-0.54
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(2H-tetrazol-5-ylmethyl)morpholine
CID 55253377
3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine
CID 114352942
3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 18915160
3-(bromomethyl)morpholine
CID 70577689
3-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]morpholine
CID 83858621
3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
CID 129319991
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
CID 116890422
3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one
CID 83846886
3-[(5-methylfuran-2-yl)methyl]morpholine
CID 116927979
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
4-(morpholin-3-ylmethyl)pyrimidin-2-amine
CID 83847459

Frequently Asked Questions

What is the IUPAC name of 3-(thiatriazol-5-ylmethyl)morpholine?
The IUPAC name of 3-(thiatriazol-5-ylmethyl)morpholine (CID 116985755) is 3-(thiatriazol-5-ylmethyl)morpholine.
What is the SMILES notation for 3-(thiatriazol-5-ylmethyl)morpholine?
The canonical SMILES for 3-(thiatriazol-5-ylmethyl)morpholine is C1COCC(Cc2nnns2)N1.
What is the InChIKey of 3-(thiatriazol-5-ylmethyl)morpholine?
The InChIKey is LJHNUDUMDZNXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-2-11-4-5(7-1)3-6-8-9-10-12-6/h5,7H,1-4H2.
What are the key properties of 3-(thiatriazol-5-ylmethyl)morpholine?
3-(thiatriazol-5-ylmethyl)morpholine has a molecular weight of 186.24 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiatriazol-5-ylmethyl)morpholine is sourced from PubChem (CID 116985755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).