5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine

C16H12N4S — CID 117472107

IUPAC5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2-c2nc3ccccc3s2)[nH]n1
InChIInChI=1S/C16H12N4S/c17-15-9-13(19-20-15)10-5-1-2-6-11(10)16-18-12-7-3-4-8-14(12)21-16/h1-9H,(H3,17,19,20)
InChIKeyJMUPALHBAXSLDC-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.94
Rot. Bonds2

About 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine

5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117472107) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
PubChem CID117472107
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2-c2nc3ccccc3s2)[nH]n1
InChIInChI=1S/C16H12N4S/c17-15-9-13(19-20-15)10-5-1-2-6-11(10)16-18-12-7-3-4-8-14(12)21-16/h1-9H,(H3,17,19,20)
InChIKeyJMUPALHBAXSLDC-UHFFFAOYSA-N
XLogP3.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117472108
2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 135218835
5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine
CID 117332684
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
5-(5-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 64526919
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
3-(1,3-benzothiazol-2-yl)-4-bromoaniline
CID 113281149
5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 79511841
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine (CID 117472107) is 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2ccccc2-c2nc3ccccc3s2)[nH]n1.
What is the InChIKey of 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is JMUPALHBAXSLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c17-15-9-13(19-20-15)10-5-1-2-6-11(10)16-18-12-7-3-4-8-14(12)21-16/h1-9H,(H3,17,19,20).
What are the key properties of 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine?
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 292.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117472107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).