2-(1H-indazol-5-yl)-1,3-benzothiazole

C14H9N3S — CID 10634504

IUPAC2-(1H-indazol-5-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc4[nH]ncc4c3)nc2c1
InChIInChI=1S/C14H9N3S/c1-2-4-13-12(3-1)16-14(18-13)9-5-6-11-10(7-9)8-15-17-11/h1-8H,(H,15,17)
InChIKeyCLEHYEMOBADURQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.84
Rot. Bonds1

About 2-(1H-indazol-5-yl)-1,3-benzothiazole

2-(1H-indazol-5-yl)-1,3-benzothiazole (PubChem CID 10634504) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-1,3-benzothiazole
PubChem CID10634504
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name2-(1H-indazol-5-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc4[nH]ncc4c3)nc2c1
InChIInChI=1S/C14H9N3S/c1-2-4-13-12(3-1)16-14(18-13)9-5-6-11-10(7-9)8-15-17-11/h1-8H,(H,15,17)
InChIKeyCLEHYEMOBADURQ-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1H-indazol-5-yl)-1,3-benzothiazole (CID 10634504) is 2-(1H-indazol-5-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1H-indazol-5-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1H-indazol-5-yl)-1,3-benzothiazole is c1ccc2sc(-c3ccc4[nH]ncc4c3)nc2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)-1,3-benzothiazole?
The InChIKey is CLEHYEMOBADURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c1-2-4-13-12(3-1)16-14(18-13)9-5-6-11-10(7-9)8-15-17-11/h1-8H,(H,15,17).
What are the key properties of 2-(1H-indazol-5-yl)-1,3-benzothiazole?
2-(1H-indazol-5-yl)-1,3-benzothiazole has a molecular weight of 251.31 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-1,3-benzothiazole is sourced from PubChem (CID 10634504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).