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

C12H10N6S — CID 46836714

IUPACN-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESc1cnc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1
InChIInChI=1S/C12H10N6S/c1-4-13-11(14-5-1)17-12-16-10-7-6-15-18-8(7)2-3-9(10)19-12/h1,4-6H,2-3H2,(H,15,18)(H,13,14,16,17)
InChIKeyDYTOOFWBTYQIBR-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.17
Rot. Bonds2

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

N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 46836714) has the molecular formula C12H10N6S and a molecular weight of 270.32 g/mol. Its IUPAC name is N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID46836714
Molecular FormulaC12H10N6S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC NameN-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESc1cnc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1
InChIInChI=1S/C12H10N6S/c1-4-13-11(14-5-1)17-12-16-10-7-6-15-18-8(7)2-3-9(10)19-12/h1,4-6H,2-3H2,(H,15,18)(H,13,14,16,17)
InChIKeyDYTOOFWBTYQIBR-UHFFFAOYSA-N
XLogP2.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-pyrimidin-2-yl-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-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 46836714) is N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is c1cnc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1.
What is the InChIKey of N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is DYTOOFWBTYQIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S/c1-4-13-11(14-5-1)17-12-16-10-7-6-15-18-8(7)2-3-9(10)19-12/h1,4-6H,2-3H2,(H,15,18)(H,13,14,16,17).
What are the key properties of N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 270.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 46836714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).