4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine

C13H16N2O2S — CID 131646432

IUPAC4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
SMILESCc1nc(C2COCCN2Cc2ccco2)cs1
InChIInChI=1S/C13H16N2O2S/c1-10-14-12(9-18-10)13-8-16-6-4-15(13)7-11-3-2-5-17-11/h2-3,5,9,13H,4,6-8H2,1H3
InChIKeyAGXOUFUYHZQTGZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.62
Rot. Bonds3

About 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine

4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine (PubChem CID 131646432) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
PubChem CID131646432
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
SMILESCc1nc(C2COCCN2Cc2ccco2)cs1
InChIInChI=1S/C13H16N2O2S/c1-10-14-12(9-18-10)13-8-16-6-4-15(13)7-11-3-2-5-17-11/h2-3,5,9,13H,4,6-8H2,1H3
InChIKeyAGXOUFUYHZQTGZ-UHFFFAOYSA-N
XLogP2.62
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
CID 131661818
(3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 97487327
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 97485599
4-[(6-methyl-2-pyridinyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155844122
3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine
CID 131642420
furan-3-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97484452
1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 131657943
2-(4-methylphenoxy)-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131654980
1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 97485469
(3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 97484918
3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one
CID 97485746
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-4-ylmethanone
CID 131659440

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
The IUPAC name of 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine (CID 131646432) is 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine.
What is the SMILES notation for 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
The canonical SMILES for 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine is Cc1nc(C2COCCN2Cc2ccco2)cs1.
What is the InChIKey of 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
The InChIKey is AGXOUFUYHZQTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-14-12(9-18-10)13-8-16-6-4-15(13)7-11-3-2-5-17-11/h2-3,5,9,13H,4,6-8H2,1H3.
What are the key properties of 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine has a molecular weight of 264.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine is sourced from PubChem (CID 131646432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).