2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole

C9H6ClN5S — CID 82880870

IUPAC2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole
SMILESCc1nc(Cl)c2cnn(-c3nccs3)c2n1
InChIInChI=1S/C9H6ClN5S/c1-5-13-7(10)6-4-12-15(8(6)14-5)9-11-2-3-16-9/h2-4H,1H3
InChIKeyMHQATFIZPWBMCD-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.23
Rot. Bonds1

About 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole

2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole (PubChem CID 82880870) has the molecular formula C9H6ClN5S and a molecular weight of 251.70 g/mol. Its IUPAC name is 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole
PubChem CID82880870
Molecular FormulaC9H6ClN5S
Molecular Weight251.70 g/mol
Exact Mass251.00
IUPAC Name2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole
SMILESCc1nc(Cl)c2cnn(-c3nccs3)c2n1
InChIInChI=1S/C9H6ClN5S/c1-5-13-7(10)6-4-12-15(8(6)14-5)9-11-2-3-16-9/h2-4H,1H3
InChIKeyMHQATFIZPWBMCD-UHFFFAOYSA-N
XLogP2.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole (CID 82880870) is 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole is Cc1nc(Cl)c2cnn(-c3nccs3)c2n1.
What is the InChIKey of 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole?
The InChIKey is MHQATFIZPWBMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5S/c1-5-13-7(10)6-4-12-15(8(6)14-5)9-11-2-3-16-9/h2-4H,1H3.
What are the key properties of 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole?
2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole has a molecular weight of 251.70 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 82880870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).