2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole

C8H5N5S — CID 70447530

IUPAC2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole
SMILESc1cnc2nc(-c3nncs3)cn2c1
InChIInChI=1S/C8H5N5S/c1-2-9-8-11-6(4-13(8)3-1)7-12-10-5-14-7/h1-5H
InChIKeyQQQNANKQOJETLP-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.25
Rot. Bonds1

About 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole

2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole (PubChem CID 70447530) has the molecular formula C8H5N5S and a molecular weight of 203.23 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole
PubChem CID70447530
Molecular FormulaC8H5N5S
Molecular Weight203.23 g/mol
Exact Mass203.03
IUPAC Name2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole
SMILESc1cnc2nc(-c3nncs3)cn2c1
InChIInChI=1S/C8H5N5S/c1-2-9-8-11-6(4-13(8)3-1)7-12-10-5-14-7/h1-5H
InChIKeyQQQNANKQOJETLP-UHFFFAOYSA-N
XLogP1.25
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole (CID 70447530) is 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole is c1cnc2nc(-c3nncs3)cn2c1.
What is the InChIKey of 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole?
The InChIKey is QQQNANKQOJETLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S/c1-2-9-8-11-6(4-13(8)3-1)7-12-10-5-14-7/h1-5H.
What are the key properties of 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole?
2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole has a molecular weight of 203.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyrimidin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 70447530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).