3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole

C17H18N4OS2 — CID 69088097

IUPAC3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCSCC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C17H18N4OS2/c1-11-9-14(22-20-11)13-10-18-17(21-5-7-23-8-6-21)19-16(13)15-4-3-12(2)24-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIXEVHXPJTQNRJQ-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.03
Rot. Bonds3

About 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole

3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole (PubChem CID 69088097) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole
PubChem CID69088097
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCSCC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C17H18N4OS2/c1-11-9-14(22-20-11)13-10-18-17(21-5-7-23-8-6-21)19-16(13)15-4-3-12(2)24-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIXEVHXPJTQNRJQ-UHFFFAOYSA-N
XLogP4.03
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole (CID 69088097) is 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole is Cc1cc(-c2cnc(N3CCSCC3)nc2-c2ccc(C)s2)on1.
What is the InChIKey of 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole?
The InChIKey is IXEVHXPJTQNRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-11-9-14(22-20-11)13-10-18-17(21-5-7-23-8-6-21)19-16(13)15-4-3-12(2)24-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole?
3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole has a molecular weight of 358.49 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(5-methylthiophen-2-yl)-2-thiomorpholin-4-ylpyrimidin-5-yl]-1,2-oxazole is sourced from PubChem (CID 69088097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).