(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine

C17H20N4O2S — CID 95285694

IUPAC(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(C[C@H]2CN(Cc3csc(-c4ccco4)n3)CCO2)c1
InChIInChI=1S/C17H20N4O2S/c1-13-7-18-21(8-13)11-15-10-20(4-6-22-15)9-14-12-24-17(19-14)16-3-2-5-23-16/h2-3,5,7-8,12,15H,4,6,9-11H2,1H3/t15-/m1/s1
InChIKeyWMYDOYVMMWIAIT-OAHLLOKOSA-N
MW344.44 g/mol
LogP2.81
Rot. Bonds5

About (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine

(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (PubChem CID 95285694) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
PubChem CID95285694
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(C[C@H]2CN(Cc3csc(-c4ccco4)n3)CCO2)c1
InChIInChI=1S/C17H20N4O2S/c1-13-7-18-21(8-13)11-15-10-20(4-6-22-15)9-14-12-24-17(19-14)16-3-2-5-23-16/h2-3,5,7-8,12,15H,4,6,9-11H2,1H3/t15-/m1/s1
InChIKeyWMYDOYVMMWIAIT-OAHLLOKOSA-N
XLogP2.81
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (CID 95285694) is (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is Cc1cnn(C[C@H]2CN(Cc3csc(-c4ccco4)n3)CCO2)c1.
What is the InChIKey of (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The InChIKey is WMYDOYVMMWIAIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13-7-18-21(8-13)11-15-10-20(4-6-22-15)9-14-12-24-17(19-14)16-3-2-5-23-16/h2-3,5,7-8,12,15H,4,6,9-11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine has a molecular weight of 344.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 95285694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).