7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine

C8H4IN5S — CID 131187562

IUPAC7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine
SMILESIc1cnn(-c2ncnc3scnc23)c1
InChIInChI=1S/C8H4IN5S/c9-5-1-13-14(2-5)7-6-8(11-3-10-7)15-4-12-6/h1-4H
InChIKeySKMYKPFFJHZROC-UHFFFAOYSA-N
MW329.13 g/mol
LogP1.88
Rot. Bonds1

About 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine

7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 131187562) has the molecular formula C8H4IN5S and a molecular weight of 329.13 g/mol. Its IUPAC name is 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID131187562
Molecular FormulaC8H4IN5S
Molecular Weight329.13 g/mol
Exact Mass328.92
IUPAC Name7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine
SMILESIc1cnn(-c2ncnc3scnc23)c1
InChIInChI=1S/C8H4IN5S/c9-5-1-13-14(2-5)7-6-8(11-3-10-7)15-4-12-6/h1-4H
InChIKeySKMYKPFFJHZROC-UHFFFAOYSA-N
XLogP1.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 166243412
[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80903935
4-(4-iodopyrazol-1-yl)quinazolin-6-amine
CID 64589919
2-cyclopropyl-6-methyl-4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 122154680
4-(4-chloropyrazol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 165472017
2-(4-iodopyrazol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 88591516
3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine
CID 105367487
1-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclobutan-1-amine
CID 131113925
4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331134
4-but-3-ynoxy-6-(4-iodopyrazol-1-yl)pyrimidine
CID 91025970
2-chloro-5-(4-iodopyrazol-1-yl)pyrazine
CID 130799909
2-(methoxymethyl)-4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 122154681

Frequently Asked Questions

What is the IUPAC name of 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine (CID 131187562) is 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine is Ic1cnn(-c2ncnc3scnc23)c1.
What is the InChIKey of 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is SKMYKPFFJHZROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4IN5S/c9-5-1-13-14(2-5)7-6-8(11-3-10-7)15-4-12-6/h1-4H.
What are the key properties of 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 329.13 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 131187562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).