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

C17H11N7S — CID 155552736

IUPAC4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole
SMILESc1ccc(-n2cnnn2)c(-c2nc(-c3ccc4[nH]ncc4c3)cs2)c1
InChIInChI=1S/C17H11N7S/c1-2-4-16(24-10-19-22-23-24)13(3-1)17-20-15(9-25-17)11-5-6-14-12(7-11)8-18-21-14/h1-10H,(H,18,21)
InChIKeyBZFCRVUPTVVBLU-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.33
Rot. Bonds3

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

4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole (PubChem CID 155552736) has the molecular formula C17H11N7S and a molecular weight of 345.39 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole
PubChem CID155552736
Molecular FormulaC17H11N7S
Molecular Weight345.39 g/mol
Exact Mass345.08
IUPAC Name4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole
SMILESc1ccc(-n2cnnn2)c(-c2nc(-c3ccc4[nH]ncc4c3)cs2)c1
InChIInChI=1S/C17H11N7S/c1-2-4-16(24-10-19-22-23-24)13(3-1)17-20-15(9-25-17)11-5-6-14-12(7-11)8-18-21-14/h1-10H,(H,18,21)
InChIKeyBZFCRVUPTVVBLU-UHFFFAOYSA-N
XLogP3.33
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole (CID 155552736) is 4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole is c1ccc(-n2cnnn2)c(-c2nc(-c3ccc4[nH]ncc4c3)cs2)c1.
What is the InChIKey of 4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole?
The InChIKey is BZFCRVUPTVVBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7S/c1-2-4-16(24-10-19-22-23-24)13(3-1)17-20-15(9-25-17)11-5-6-14-12(7-11)8-18-21-14/h1-10H,(H,18,21).
What are the key properties of 4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole?
4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole has a molecular weight of 345.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 155552736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).