7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H14N4O2S2 — CID 2659879

IUPAC7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(COc2ncnc3sc4c(c23)CCCC4)nc2sccn12
InChIInChI=1S/C17H14N4O2S2/c22-13-7-10(20-17-21(13)5-6-24-17)8-23-15-14-11-3-1-2-4-12(11)25-16(14)19-9-18-15/h5-7,9H,1-4,8H2
InChIKeyKBEJVRLLGHNKTB-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.22
Rot. Bonds3

About 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2659879) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2659879
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(COc2ncnc3sc4c(c23)CCCC4)nc2sccn12
InChIInChI=1S/C17H14N4O2S2/c22-13-7-10(20-17-21(13)5-6-24-17)8-23-15-14-11-3-1-2-4-12(11)25-16(14)19-9-18-15/h5-7,9H,1-4,8H2
InChIKeyKBEJVRLLGHNKTB-UHFFFAOYSA-N
XLogP3.22
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55321568
4-[(2,6-dichlorophenyl)methoxy]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 4562047
4-[(1-benzyltriazol-4-yl)methoxy]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 165415894
7-[(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9113710
N-propan-2-yl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yloxy)acetamide
CID 51139476
7-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7817594
4-methoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 717679
7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 106485005
N-ethyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxy)acetamide
CID 2704385
12-[(2,4-dichlorophenyl)methoxy]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 4212632
N-cyclopentyl-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yloxy)acetamide
CID 112776080
12-(1,3-benzothiazol-2-ylmethoxy)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 2705669

Frequently Asked Questions

What is the IUPAC name of 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2659879) is 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(COc2ncnc3sc4c(c23)CCCC4)nc2sccn12.
What is the InChIKey of 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KBEJVRLLGHNKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c22-13-7-10(20-17-21(13)5-6-24-17)8-23-15-14-11-3-1-2-4-12(11)25-16(14)19-9-18-15/h5-7,9H,1-4,8H2.
What are the key properties of 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 370.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2659879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).