4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole

C15H10N6S — CID 90643529

IUPAC4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccncc3)sc2-c2nn[nH]n2)cc1
InChIInChI=1S/C15H10N6S/c1-2-4-10(5-3-1)12-13(14-18-20-21-19-14)22-15(17-12)11-6-8-16-9-7-11/h1-9H,(H,18,19,20,21)
InChIKeyKVFBXYUQVDJRON-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.05
Rot. Bonds3

About 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole

4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole (PubChem CID 90643529) has the molecular formula C15H10N6S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole
PubChem CID90643529
Molecular FormulaC15H10N6S
Molecular Weight306.35 g/mol
Exact Mass306.07
IUPAC Name4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccncc3)sc2-c2nn[nH]n2)cc1
InChIInChI=1S/C15H10N6S/c1-2-4-10(5-3-1)12-13(14-18-20-21-19-14)22-15(17-12)11-6-8-16-9-7-11/h1-9H,(H,18,19,20,21)
InChIKeyKVFBXYUQVDJRON-UHFFFAOYSA-N
XLogP3.05
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole (CID 90643529) is 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole is c1ccc(-c2nc(-c3ccncc3)sc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole?
The InChIKey is KVFBXYUQVDJRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6S/c1-2-4-10(5-3-1)12-13(14-18-20-21-19-14)22-15(17-12)11-6-8-16-9-7-11/h1-9H,(H,18,19,20,21).
What are the key properties of 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole?
4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole has a molecular weight of 306.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 90643529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).