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

C15H15N5S — CID 53387724

IUPACN-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc3c(s2)CCc2[nH]ncc2-3)c1
InChIInChI=1S/C15H15N5S/c1-8-5-9(2)17-13(6-8)18-15-19-14-10-7-16-20-11(10)3-4-12(14)21-15/h5-7H,3-4H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyMOSHYIZCRFOVQT-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.39
Rot. Bonds2

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

N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 53387724) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID53387724
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc3c(s2)CCc2[nH]ncc2-3)c1
InChIInChI=1S/C15H15N5S/c1-8-5-9(2)17-13(6-8)18-15-19-14-10-7-16-20-11(10)3-4-12(14)21-15/h5-7H,3-4H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyMOSHYIZCRFOVQT-UHFFFAOYSA-N
XLogP3.39
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 53387724) is N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is Cc1cc(C)nc(Nc2nc3c(s2)CCc2[nH]ncc2-3)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is MOSHYIZCRFOVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-8-5-9(2)17-13(6-8)18-15-19-14-10-7-16-20-11(10)3-4-12(14)21-15/h5-7H,3-4H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 53387724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).