(3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine

C9H14N2O2S — CID 71047355

IUPAC(3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine
SMILESCOC[C@H]1COCCN1c1nccs1
InChIInChI=1S/C9H14N2O2S/c1-12-6-8-7-13-4-3-11(8)9-10-2-5-14-9/h2,5,8H,3-4,6-7H2,1H3/t8-/m0/s1
InChIKeyFHWDOZGLQNCODJ-QMMMGPOBSA-N
MW214.29 g/mol
LogP0.99
Rot. Bonds3

About (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine

(3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine (PubChem CID 71047355) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine
PubChem CID71047355
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine
SMILESCOC[C@H]1COCCN1c1nccs1
InChIInChI=1S/C9H14N2O2S/c1-12-6-8-7-13-4-3-11(8)9-10-2-5-14-9/h2,5,8H,3-4,6-7H2,1H3/t8-/m0/s1
InChIKeyFHWDOZGLQNCODJ-QMMMGPOBSA-N
XLogP0.99
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazol-2-amine
CID 73994620
2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl 4-morpholinecarbodithioate
CID 900890
1-(2-Methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396284
4-(1,3-Thiazol-2-yl)morpholine
CID 15475837
Methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
CID 28880817
(E)-1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 9660703
(2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol
CID 164639342
Tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium
CID 123791014
2-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53530005
1-[(3R,4S)-4-fluorooxolan-3-yl]-4-(1,3-thiazol-2-yl)piperazine
CID 126856291
N-(4-fluorooxolan-3-yl)-N-methyl-1,3-thiazol-2-amine
CID 126857875
1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 2088725

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine (CID 71047355) is (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine is COC[C@H]1COCCN1c1nccs1.
What is the InChIKey of (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine?
The InChIKey is FHWDOZGLQNCODJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-12-6-8-7-13-4-3-11(8)9-10-2-5-14-9/h2,5,8H,3-4,6-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine?
(3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine has a molecular weight of 214.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-4-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 71047355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).