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

C14H13N5S — CID 53387723

IUPACN-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1
InChIInChI=1S/C14H13N5S/c1-8-2-5-12(15-6-8)17-14-18-13-9-7-16-19-10(9)3-4-11(13)20-14/h2,5-7H,3-4H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyJZQMRRNRLNOLIP-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.08
Rot. Bonds2

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

N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 53387723) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID53387723
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC NameN-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1
InChIInChI=1S/C14H13N5S/c1-8-2-5-12(15-6-8)17-14-18-13-9-7-16-19-10(9)3-4-11(13)20-14/h2,5-7H,3-4H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyJZQMRRNRLNOLIP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 53387723) is N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is Cc1ccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is JZQMRRNRLNOLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-8-2-5-12(15-6-8)17-14-18-13-9-7-16-19-10(9)3-4-11(13)20-14/h2,5-7H,3-4H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
N-(5-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-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 53387723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).