3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one

C18H15N3O2S2 — CID 46678669

IUPAC3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(OCc2nc(Cn3cnc4sccc4c3=O)cs2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-12-2-4-14(5-3-12)23-9-16-20-13(10-25-16)8-21-11-19-17-15(18(21)22)6-7-24-17/h2-7,10-11H,8-9H2,1H3
InChIKeyHWJSNWQWXXRPID-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.85
Rot. Bonds5

About 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one

3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 46678669) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID46678669
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(OCc2nc(Cn3cnc4sccc4c3=O)cs2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-12-2-4-14(5-3-12)23-9-16-20-13(10-25-16)8-21-11-19-17-15(18(21)22)6-7-24-17/h2-7,10-11H,8-9H2,1H3
InChIKeyHWJSNWQWXXRPID-UHFFFAOYSA-N
XLogP3.85
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 25352957
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38866791
4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
CID 51111624
3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 51124152
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 32740125
3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577055
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 38827444
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38861852
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 46678669) is 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one is Cc1ccc(OCc2nc(Cn3cnc4sccc4c3=O)cs2)cc1.
What is the InChIKey of 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HWJSNWQWXXRPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-12-2-4-14(5-3-12)23-9-16-20-13(10-25-16)8-21-11-19-17-15(18(21)22)6-7-24-17/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 369.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46678669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).