2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C11H8N4OS — CID 135726636

IUPAC2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(Nc3ccccc3)sc12
InChIInChI=1S/C11H8N4OS/c16-10-8-9(12-6-13-10)15-11(17-8)14-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChIKeyTVYBDNZUZDXQOG-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.12
Rot. Bonds2

About 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 135726636) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID135726636
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(Nc3ccccc3)sc12
InChIInChI=1S/C11H8N4OS/c16-10-8-9(12-6-13-10)15-11(17-8)14-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChIKeyTVYBDNZUZDXQOG-UHFFFAOYSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 135726636) is 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1[nH]cnc2nc(Nc3ccccc3)sc12.
What is the InChIKey of 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is TVYBDNZUZDXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c16-10-8-9(12-6-13-10)15-11(17-8)14-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16).
What are the key properties of 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 244.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135726636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).