1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C14H12N6S — CID 155914044

IUPAC1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc2cc(-c3nc(N)c4cnn(C)c4n3)ccc2s1
InChIInChI=1S/C14H12N6S/c1-7-17-10-5-8(3-4-11(10)21-7)13-18-12(15)9-6-16-20(2)14(9)19-13/h3-6H,1-2H3,(H2,15,18,19)
InChIKeyOGGXJAWVAYPTDB-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.53
Rot. Bonds1

About 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 155914044) has the molecular formula C14H12N6S and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID155914044
Molecular FormulaC14H12N6S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc2cc(-c3nc(N)c4cnn(C)c4n3)ccc2s1
InChIInChI=1S/C14H12N6S/c1-7-17-10-5-8(3-4-11(10)21-7)13-18-12(15)9-6-16-20(2)14(9)19-13/h3-6H,1-2H3,(H2,15,18,19)
InChIKeyOGGXJAWVAYPTDB-UHFFFAOYSA-N
XLogP2.53
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 164800826
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one
CID 155916412
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
1-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxylic acid
CID 155912394
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine
CID 155912615
6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 165427184
2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
CID 155914940
6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
CID 155910091
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
7-(4-aminophenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 18450870

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 155914044) is 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc2cc(-c3nc(N)c4cnn(C)c4n3)ccc2s1.
What is the InChIKey of 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OGGXJAWVAYPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S/c1-7-17-10-5-8(3-4-11(10)21-7)13-18-12(15)9-6-16-20(2)14(9)19-13/h3-6H,1-2H3,(H2,15,18,19).
What are the key properties of 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 296.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155914044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).