6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C12H9N7S2 — CID 146268695

IUPAC6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3nccs3)cc12
InChIInChI=1S/C12H9N7S2/c13-10-7-5-19(6-9-14-2-4-20-9)17-11(7)16-12(15-10)8-1-3-21-18-8/h1-5H,6H2,(H2,13,15,16,17)
InChIKeyVHSAKAJGXWMLLD-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.04
Rot. Bonds3

About 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268695) has the molecular formula C12H9N7S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268695
Molecular FormulaC12H9N7S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC Name6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3nccs3)cc12
InChIInChI=1S/C12H9N7S2/c13-10-7-5-19(6-9-14-2-4-20-9)17-11(7)16-12(15-10)8-1-3-21-18-8/h1-5H,6H2,(H2,13,15,16,17)
InChIKeyVHSAKAJGXWMLLD-UHFFFAOYSA-N
XLogP2.04
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[1-(2-Piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole
CID 74767291
US11786528, Example 33
CID 146268707
4-[1-(Difluoromethyl)pyrazol-3-yl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571312
4-[2-(Difluoromethyl)pyrazol-3-yl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19573809
2-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62195418
2-Pyrazolo[1,5-a]pyrimidin-2-yl-1,3-thiazole
CID 67315314
2-Pyrazolo[1,5-a]pyrimidin-5-yl-1,3-thiazole
CID 67315315
2-Methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole
CID 170223365
4-[(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 17454861
4-[1-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571325
4-[1-(3-Methylpyrazol-1-yl)ethyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571332
1-Ethyl-3-(10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)pyrazol-4-amine
CID 19573604

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268695) is 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccsn2)nc2nn(Cc3nccs3)cc12.
What is the InChIKey of 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VHSAKAJGXWMLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7S2/c13-10-7-5-19(6-9-14-2-4-20-9)17-11(7)16-12(15-10)8-1-3-21-18-8/h1-5H,6H2,(H2,13,15,16,17).
What are the key properties of 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).