3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine

C13H20N2O2S — CID 116886540

IUPAC3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine
SMILESCc1nc(C2CCOCC2)sc1C1COCCN1
InChIInChI=1S/C13H20N2O2S/c1-9-12(11-8-17-7-4-14-11)18-13(15-9)10-2-5-16-6-3-10/h10-11,14H,2-8H2,1H3
InChIKeyXJZZXFXWRAKODA-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.01
Rot. Bonds2

About 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine

3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine (PubChem CID 116886540) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine.

Molecular Properties

Compound Name3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine
PubChem CID116886540
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine
SMILESCc1nc(C2CCOCC2)sc1C1COCCN1
InChIInChI=1S/C13H20N2O2S/c1-9-12(11-8-17-7-4-14-11)18-13(15-9)10-2-5-16-6-3-10/h10-11,14H,2-8H2,1H3
InChIKeyXJZZXFXWRAKODA-UHFFFAOYSA-N
XLogP2.01
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-4-methyl-5-piperidin-2-yl-1,3-thiazole
CID 116885109
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 120581948
4,6-dimethyl-2-morpholin-3-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole
CID 102748306
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine
CID 116881072
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
N-[[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65334244
(3R)-3-(1,3-benzothiazol-2-yl)morpholine
CID 96788923
(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 96626970
3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine
CID 102748188

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine?
The IUPAC name of 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine (CID 116886540) is 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine.
What is the SMILES notation for 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine?
The canonical SMILES for 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine is Cc1nc(C2CCOCC2)sc1C1COCCN1.
What is the InChIKey of 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine?
The InChIKey is XJZZXFXWRAKODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-12(11-8-17-7-4-14-11)18-13(15-9)10-2-5-16-6-3-10/h10-11,14H,2-8H2,1H3.
What are the key properties of 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine?
3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine has a molecular weight of 268.38 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]morpholine is sourced from PubChem (CID 116886540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).