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

C19H17N3OS2 — CID 38861806

IUPAC3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(-c2nc(Cn3cnc4sccc4c3=O)cs2)cc1
InChIInChI=1S/C19H17N3OS2/c1-12(2)13-3-5-14(6-4-13)17-21-15(10-25-17)9-22-11-20-18-16(19(22)23)7-8-24-18/h3-8,10-12H,9H2,1-2H3
InChIKeyGMQKJEMFLITROM-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.75
Rot. Bonds4

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

3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 38861806) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID38861806
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(-c2nc(Cn3cnc4sccc4c3=O)cs2)cc1
InChIInChI=1S/C19H17N3OS2/c1-12(2)13-3-5-14(6-4-13)17-21-15(10-25-17)9-22-11-20-18-16(19(22)23)7-8-24-18/h3-8,10-12H,9H2,1-2H3
InChIKeyGMQKJEMFLITROM-UHFFFAOYSA-N
XLogP4.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 2564582
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CID 24249317
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CID 54757523
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CID 984009
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 38861806) is 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one is CC(C)c1ccc(-c2nc(Cn3cnc4sccc4c3=O)cs2)cc1.
What is the InChIKey of 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GMQKJEMFLITROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-12(2)13-3-5-14(6-4-13)17-21-15(10-25-17)9-22-11-20-18-16(19(22)23)7-8-24-18/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 367.50 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 38861806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).