5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine

C14H12N6S — CID 56597311

IUPAC5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1cnc(Nc2nc3c(cc(C)c4[nH]ncc43)s2)nc1
InChIInChI=1S/C14H12N6S/c1-7-4-15-13(16-5-7)19-14-18-12-9-6-17-20-11(9)8(2)3-10(12)21-14/h3-6H,1-2H3,(H,17,20)(H,15,16,18,19)
InChIKeyDDFFNKLXTNABOQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.32
Rot. Bonds2

About 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine

5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 56597311) has the molecular formula C14H12N6S and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID56597311
Molecular FormulaC14H12N6S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1cnc(Nc2nc3c(cc(C)c4[nH]ncc43)s2)nc1
InChIInChI=1S/C14H12N6S/c1-7-4-15-13(16-5-7)19-14-18-12-9-6-17-20-11(9)8(2)3-10(12)21-14/h3-6H,1-2H3,(H,17,20)(H,15,16,18,19)
InChIKeyDDFFNKLXTNABOQ-UHFFFAOYSA-N
XLogP3.32
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 56597311) is 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is Cc1cnc(Nc2nc3c(cc(C)c4[nH]ncc43)s2)nc1.
What is the InChIKey of 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is DDFFNKLXTNABOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S/c1-7-4-15-13(16-5-7)19-14-18-12-9-6-17-20-11(9)8(2)3-10(12)21-14/h3-6H,1-2H3,(H,17,20)(H,15,16,18,19).
What are the key properties of 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 296.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 56597311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).