[1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile

C6H2N4S — CID 91066411

IUPAC[1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile
SMILESN#Cc1ncc2scnc2n1
InChIInChI=1S/C6H2N4S/c7-1-5-8-2-4-6(10-5)9-3-11-4/h2-3H
InChIKeyZGALWBLWNLGRJU-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.96
Rot. Bonds

About [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile

[1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile (PubChem CID 91066411) has the molecular formula C6H2N4S and a molecular weight of 162.18 g/mol. Its IUPAC name is [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name[1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile
PubChem CID91066411
Molecular FormulaC6H2N4S
Molecular Weight162.18 g/mol
Exact Mass162.00
IUPAC Name[1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile
SMILESN#Cc1ncc2scnc2n1
InChIInChI=1S/C6H2N4S/c7-1-5-8-2-4-6(10-5)9-3-11-4/h2-3H
InChIKeyZGALWBLWNLGRJU-UHFFFAOYSA-N
XLogP0.96
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile?
The IUPAC name of [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile (CID 91066411) is [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile?
The canonical SMILES for [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile is N#Cc1ncc2scnc2n1.
What is the InChIKey of [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile?
The InChIKey is ZGALWBLWNLGRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N4S/c7-1-5-8-2-4-6(10-5)9-3-11-4/h2-3H.
What are the key properties of [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile?
[1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile has a molecular weight of 162.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 91066411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).