purino[8,7-b][1,3]thiazole

C7H4N4S — CID 23262336

IUPACpurino[8,7-b][1,3]thiazole
SMILESc1ncc2c(n1)nc1sccn12
InChIInChI=1S/C7H4N4S/c1-2-12-7-10-6-5(11(1)7)3-8-4-9-6/h1-4H
InChIKeyJDUUVNFWHWQXAC-UHFFFAOYSA-N
MW176.20 g/mol
LogP1.34
Rot. Bonds

About purino[8,7-b][1,3]thiazole

purino[8,7-b][1,3]thiazole (PubChem CID 23262336) has the molecular formula C7H4N4S and a molecular weight of 176.20 g/mol. Its IUPAC name is purino[8,7-b][1,3]thiazole.

Molecular Properties

Compound Namepurino[8,7-b][1,3]thiazole
PubChem CID23262336
Molecular FormulaC7H4N4S
Molecular Weight176.20 g/mol
Exact Mass176.02
IUPAC Namepurino[8,7-b][1,3]thiazole
SMILESc1ncc2c(n1)nc1sccn12
InChIInChI=1S/C7H4N4S/c1-2-12-7-10-6-5(11(1)7)3-8-4-9-6/h1-4H
InChIKeyJDUUVNFWHWQXAC-UHFFFAOYSA-N
XLogP1.34
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of purino[8,7-b][1,3]thiazole?
The IUPAC name of purino[8,7-b][1,3]thiazole (CID 23262336) is purino[8,7-b][1,3]thiazole.
What is the SMILES notation for purino[8,7-b][1,3]thiazole?
The canonical SMILES for purino[8,7-b][1,3]thiazole is c1ncc2c(n1)nc1sccn12.
What is the InChIKey of purino[8,7-b][1,3]thiazole?
The InChIKey is JDUUVNFWHWQXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4S/c1-2-12-7-10-6-5(11(1)7)3-8-4-9-6/h1-4H.
What are the key properties of purino[8,7-b][1,3]thiazole?
purino[8,7-b][1,3]thiazole has a molecular weight of 176.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for purino[8,7-b][1,3]thiazole is sourced from PubChem (CID 23262336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).