N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine

C13H11N5S — CID 46700737

IUPACN-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESc1ccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1
InChIInChI=1S/C13H11N5S/c1-2-6-14-11(3-1)16-13-17-12-8-7-15-18-9(8)4-5-10(12)19-13/h1-3,6-7H,4-5H2,(H,15,18)(H,14,16,17)
InChIKeyMIOXQGMSPSEKCA-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.77
Rot. Bonds2

About N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine

N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 46700737) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID46700737
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC NameN-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESc1ccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1
InChIInChI=1S/C13H11N5S/c1-2-6-14-11(3-1)16-13-17-12-8-7-15-18-9(8)4-5-10(12)19-13/h1-3,6-7H,4-5H2,(H,15,18)(H,14,16,17)
InChIKeyMIOXQGMSPSEKCA-UHFFFAOYSA-N
XLogP2.77
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 46700737) is N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is c1ccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1.
What is the InChIKey of N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is MIOXQGMSPSEKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-2-6-14-11(3-1)16-13-17-12-8-7-15-18-9(8)4-5-10(12)19-13/h1-3,6-7H,4-5H2,(H,15,18)(H,14,16,17).
What are the key properties of N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 269.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 46700737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).