6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one

C16H14N4O2S2 — CID 24578141

IUPAC6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3cc(=O)n4c(C)csc4n3)cnc2s1
InChIInChI=1S/C16H14N4O2S2/c1-3-11-5-12-14(24-11)17-8-19(15(12)22)6-10-4-13(21)20-9(2)7-23-16(20)18-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCENRZHNPPKSOCB-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.45
Rot. Bonds3

About 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 24578141) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID24578141
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC Name6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3cc(=O)n4c(C)csc4n3)cnc2s1
InChIInChI=1S/C16H14N4O2S2/c1-3-11-5-12-14(24-11)17-8-19(15(12)22)6-10-4-13(21)20-9(2)7-23-16(20)18-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCENRZHNPPKSOCB-UHFFFAOYSA-N
XLogP2.45
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 24578141) is 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(Cc3cc(=O)n4c(C)csc4n3)cnc2s1.
What is the InChIKey of 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CENRZHNPPKSOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-3-11-5-12-14(24-11)17-8-19(15(12)22)6-10-4-13(21)20-9(2)7-23-16(20)18-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 358.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 24578141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).