[4-(thiatriazol-5-yl)morpholin-2-yl]methanol

C6H10N4O2S — CID 117045194

IUPAC[4-(thiatriazol-5-yl)morpholin-2-yl]methanol
SMILESOCC1CN(c2nnns2)CCO1
InChIInChI=1S/C6H10N4O2S/c11-4-5-3-10(1-2-12-5)6-7-8-9-13-6/h5,11H,1-4H2
InChIKeyLRJSXLUYURVZHV-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.87
Rot. Bonds2

About [4-(thiatriazol-5-yl)morpholin-2-yl]methanol

[4-(thiatriazol-5-yl)morpholin-2-yl]methanol (PubChem CID 117045194) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is [4-(thiatriazol-5-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(thiatriazol-5-yl)morpholin-2-yl]methanol
PubChem CID117045194
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name[4-(thiatriazol-5-yl)morpholin-2-yl]methanol
SMILESOCC1CN(c2nnns2)CCO1
InChIInChI=1S/C6H10N4O2S/c11-4-5-3-10(1-2-12-5)6-7-8-9-13-6/h5,11H,1-4H2
InChIKeyLRJSXLUYURVZHV-UHFFFAOYSA-N
XLogP-0.87
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1,3,4-oxadiazol-2-yl)morpholin-2-yl]methanol
CID 131176674
[4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholin-2-yl]methanol
CID 81205273
2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608695
2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608983
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247
2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395821
[4-(thiadiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 126983215
[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol
CID 130540472
5-pyrrolidin-1-ylthiatriazole
CID 45088500
methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
CID 81217436
5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide
CID 81203585
[4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine;dihydrochloride
CID 86811680

Frequently Asked Questions

What is the IUPAC name of [4-(thiatriazol-5-yl)morpholin-2-yl]methanol?
The IUPAC name of [4-(thiatriazol-5-yl)morpholin-2-yl]methanol (CID 117045194) is [4-(thiatriazol-5-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(thiatriazol-5-yl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(thiatriazol-5-yl)morpholin-2-yl]methanol is OCC1CN(c2nnns2)CCO1.
What is the InChIKey of [4-(thiatriazol-5-yl)morpholin-2-yl]methanol?
The InChIKey is LRJSXLUYURVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c11-4-5-3-10(1-2-12-5)6-7-8-9-13-6/h5,11H,1-4H2.
What are the key properties of [4-(thiatriazol-5-yl)morpholin-2-yl]methanol?
[4-(thiatriazol-5-yl)morpholin-2-yl]methanol has a molecular weight of 202.24 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiatriazol-5-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 117045194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).