2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole

C19H14N6S — CID 68990792

IUPAC2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(-c5nccs5)c4c3)nn2)cc1
InChIInChI=1S/C19H14N6S/c1-2-4-13(5-3-1)11-25-12-17(22-24-25)14-6-7-16-15(10-14)18(23-21-16)19-20-8-9-26-19/h1-10,12H,11H2,(H,21,23)
InChIKeyDNLUZDHIJZJXGO-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.99
Rot. Bonds4

About 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole

2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole (PubChem CID 68990792) has the molecular formula C19H14N6S and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole
PubChem CID68990792
Molecular FormulaC19H14N6S
Molecular Weight358.43 g/mol
Exact Mass358.10
IUPAC Name2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(-c5nccs5)c4c3)nn2)cc1
InChIInChI=1S/C19H14N6S/c1-2-4-13(5-3-1)11-25-12-17(22-24-25)14-6-7-16-15(10-14)18(23-21-16)19-20-8-9-26-19/h1-10,12H,11H2,(H,21,23)
InChIKeyDNLUZDHIJZJXGO-UHFFFAOYSA-N
XLogP3.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole (CID 68990792) is 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole is c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5nccs5)c4c3)nn2)cc1.
What is the InChIKey of 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole?
The InChIKey is DNLUZDHIJZJXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6S/c1-2-4-13(5-3-1)11-25-12-17(22-24-25)14-6-7-16-15(10-14)18(23-21-16)19-20-8-9-26-19/h1-10,12H,11H2,(H,21,23).
What are the key properties of 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole?
2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole has a molecular weight of 358.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 68990792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).