4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole

C10H9N5S2 — CID 17450765

IUPAC4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2ncnc3c2cnn3C)n1
InChIInChI=1S/C10H9N5S2/c1-6-4-16-10(14-6)17-9-7-3-13-15(2)8(7)11-5-12-9/h3-5H,1-2H3
InChIKeyBKXSZSZJGBVNTG-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.28
Rot. Bonds2

About 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole

4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole (PubChem CID 17450765) has the molecular formula C10H9N5S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole
PubChem CID17450765
Molecular FormulaC10H9N5S2
Molecular Weight263.35 g/mol
Exact Mass263.03
IUPAC Name4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2ncnc3c2cnn3C)n1
InChIInChI=1S/C10H9N5S2/c1-6-4-16-10(14-6)17-9-7-3-13-15(2)8(7)11-5-12-9/h3-5H,1-2H3
InChIKeyBKXSZSZJGBVNTG-UHFFFAOYSA-N
XLogP2.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole (CID 17450765) is 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole is Cc1csc(Sc2ncnc3c2cnn3C)n1.
What is the InChIKey of 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole?
The InChIKey is BKXSZSZJGBVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S2/c1-6-4-16-10(14-6)17-9-7-3-13-15(2)8(7)11-5-12-9/h3-5H,1-2H3.
What are the key properties of 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole?
4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole has a molecular weight of 263.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 17450765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).