6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one

C17H12N4OS — CID 23287901

IUPAC6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one
SMILESO=c1c2cnc(-c3ccccc3)nc2sn1Cc1ccccn1
InChIInChI=1S/C17H12N4OS/c22-17-14-10-19-15(12-6-2-1-3-7-12)20-16(14)23-21(17)11-13-8-4-5-9-18-13/h1-10H,11H2
InChIKeyXAGPCNKRWOWBAB-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.96
Rot. Bonds3

About 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one

6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one (PubChem CID 23287901) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one
PubChem CID23287901
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one
SMILESO=c1c2cnc(-c3ccccc3)nc2sn1Cc1ccccn1
InChIInChI=1S/C17H12N4OS/c22-17-14-10-19-15(12-6-2-1-3-7-12)20-16(14)23-21(17)11-13-8-4-5-9-18-13/h1-10H,11H2
InChIKeyXAGPCNKRWOWBAB-UHFFFAOYSA-N
XLogP2.96
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(dimethylamino)-2-(2-pyridin-2-ylethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one
CID 23287888
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 129129297
2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine
CID 141409336
4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
CID 1089007
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 84592320
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
3-ethyl-7-phenyl-2-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one
CID 95916029
4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile
CID 155932690
2-[(pyridin-2-ylamino)methyl]-1,2-benzothiazol-3-one
CID 70550314

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one?
The IUPAC name of 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one (CID 23287901) is 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one.
What is the SMILES notation for 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one?
The canonical SMILES for 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one is O=c1c2cnc(-c3ccccc3)nc2sn1Cc1ccccn1.
What is the InChIKey of 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one?
The InChIKey is XAGPCNKRWOWBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c22-17-14-10-19-15(12-6-2-1-3-7-12)20-16(14)23-21(17)11-13-8-4-5-9-18-13/h1-10H,11H2.
What are the key properties of 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one?
6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one has a molecular weight of 320.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(pyridin-2-ylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-3-one is sourced from PubChem (CID 23287901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).