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

C13H11N5S — CID 53387560

IUPACN-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESc1cc(Nc2nc3c(s2)CCc2[nH]ncc2-3)ccn1
InChIInChI=1S/C13H11N5S/c1-2-11-12(9-7-15-18-10(1)9)17-13(19-11)16-8-3-5-14-6-4-8/h3-7H,1-2H2,(H,15,18)(H,14,16,17)
InChIKeyFWQQWRMZPAVZRS-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.77
Rot. Bonds2

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

N-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 53387560) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID53387560
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC NameN-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESc1cc(Nc2nc3c(s2)CCc2[nH]ncc2-3)ccn1
InChIInChI=1S/C13H11N5S/c1-2-11-12(9-7-15-18-10(1)9)17-13(19-11)16-8-3-5-14-6-4-8/h3-7H,1-2H2,(H,15,18)(H,14,16,17)
InChIKeyFWQQWRMZPAVZRS-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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Related Compounds

Adx88178
CID 46836872
N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
mGluR4-PAM-1
CID 46836562
6-Phenyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothiazol-2-amine
CID 712700
5-[3-(Quinolin-3-Yl)-2h-Indazol-5-Yl]-1,3-Thiazol-2-Amine
CID 87057584
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329
N-benzyl-4-(1H-indazol-5-yl)-5-phenylthiazol-2-amine
CID 25164678
4-(1H-indazol-5-yl)-N-phenylthiazol-2-amine
CID 25167075
N-ethyl-4-(1H-indazol-5-yl)thiazol-2-amine
CID 25167077
N-benzyl-4-(1H-indazol-5-yl)thiazol-2-amine
CID 25167078
4-(1H-indazol-5-yl)-N-phenethylthiazol-2-amine
CID 25167275
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 53387560) is N-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is c1cc(Nc2nc3c(s2)CCc2[nH]ncc2-3)ccn1.
What is the InChIKey of N-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is FWQQWRMZPAVZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-2-11-12(9-7-15-18-10(1)9)17-13(19-11)16-8-3-5-14-6-4-8/h3-7H,1-2H2,(H,15,18)(H,14,16,17).
What are the key properties of N-pyridin-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
N-pyridin-4-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-4-yl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 53387560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).