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

C14H9N5OS2 — CID 47058114

IUPAC3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H9N5OS2/c20-14-11-10(2-5-21-11)17-8-19(14)6-9-7-22-13(18-9)12-15-3-1-4-16-12/h1-5,7-8H,6H2
InChIKeyCLYIFTYSNPDYQR-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.42
Rot. Bonds3

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

3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 47058114) has the molecular formula C14H9N5OS2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID47058114
Molecular FormulaC14H9N5OS2
Molecular Weight327.39 g/mol
Exact Mass327.02
IUPAC Name3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H9N5OS2/c20-14-11-10(2-5-21-11)17-8-19(14)6-9-7-22-13(18-9)12-15-3-1-4-16-12/h1-5,7-8H,6H2
InChIKeyCLYIFTYSNPDYQR-UHFFFAOYSA-N
XLogP2.42
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17490025
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 24630191
3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 51124152
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 18123502
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17448867
6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
CID 25307974
3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 116620730
3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943
3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 43509260
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 47058114) is 3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1Cc1csc(-c2ncccn2)n1.
What is the InChIKey of 3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CLYIFTYSNPDYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5OS2/c20-14-11-10(2-5-21-11)17-8-19(14)6-9-7-22-13(18-9)12-15-3-1-4-16-12/h1-5,7-8H,6H2.
What are the key properties of 3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 327.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 47058114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).