4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine

C18H20N4OS — CID 67347452

IUPAC4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)sc1C1=NCN(c2ccccc2)C=C1
InChIInChI=1S/C18H20N4OS/c1-14-17(24-18(20-14)21-9-11-23-12-10-21)16-7-8-22(13-19-16)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyISBRDVFDOAQBDV-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.07
Rot. Bonds3

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

4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 67347452) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID67347452
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)sc1C1=NCN(c2ccccc2)C=C1
InChIInChI=1S/C18H20N4OS/c1-14-17(24-18(20-14)21-9-11-23-12-10-21)16-7-8-22(13-19-16)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyISBRDVFDOAQBDV-UHFFFAOYSA-N
XLogP3.07
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine (CID 67347452) is 4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine is Cc1nc(N2CCOCC2)sc1C1=NCN(c2ccccc2)C=C1.
What is the InChIKey of 4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is ISBRDVFDOAQBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-14-17(24-18(20-14)21-9-11-23-12-10-21)16-7-8-22(13-19-16)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3.
What are the key properties of 4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine?
4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 340.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-(1-phenyl-2H-pyrimidin-4-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 67347452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).