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

C14H13N5S — CID 46836497

IUPACN-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1cccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)n1
InChIInChI=1S/C14H13N5S/c1-8-3-2-4-12(16-8)17-14-18-13-9-7-15-19-10(9)5-6-11(13)20-14/h2-4,7H,5-6H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyXVAGDGYSYFRXHH-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.08
Rot. Bonds2

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

N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 46836497) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID46836497
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC NameN-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1cccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)n1
InChIInChI=1S/C14H13N5S/c1-8-3-2-4-12(16-8)17-14-18-13-9-7-15-19-10(9)5-6-11(13)20-14/h2-4,7H,5-6H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyXVAGDGYSYFRXHH-UHFFFAOYSA-N
XLogP3.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 46836497) is N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is Cc1cccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is XVAGDGYSYFRXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-8-3-2-4-12(16-8)17-14-18-13-9-7-15-19-10(9)5-6-11(13)20-14/h2-4,7H,5-6H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 46836497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).