6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine

C14H12N4S — CID 712700

IUPAC6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESNc1nc2c(s1)CCc1c-2cnn1-c1ccccc1
InChIInChI=1S/C14H12N4S/c15-14-17-13-10-8-16-18(9-4-2-1-3-5-9)11(10)6-7-12(13)19-14/h1-5,8H,6-7H2,(H2,15,17)
InChIKeyYOIMZHURGRDWAJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.68
Rot. Bonds1

About 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine

6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 712700) has the molecular formula C14H12N4S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID712700
Molecular FormulaC14H12N4S
Molecular Weight268.34 g/mol
Exact Mass268.08
IUPAC Name6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESNc1nc2c(s1)CCc1c-2cnn1-c1ccccc1
InChIInChI=1S/C14H12N4S/c15-14-17-13-10-8-16-18(9-4-2-1-3-5-9)11(10)6-7-12(13)19-14/h1-5,8H,6-7H2,(H2,15,17)
InChIKeyYOIMZHURGRDWAJ-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 712700) is 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine is Nc1nc2c(s1)CCc1c-2cnn1-c1ccccc1.
What is the InChIKey of 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is YOIMZHURGRDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-14-17-13-10-8-16-18(9-4-2-1-3-5-9)11(10)6-7-12(13)19-14/h1-5,8H,6-7H2,(H2,15,17).
What are the key properties of 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine?
6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 268.34 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 712700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).