2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole

C18H12N12OS — CID 141091605

IUPAC2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole
SMILESc1ccc(C2N=C(c3nn[nH]n3)C(c3cn[nH]n3)=C(c3ncco3)N2c2nccs2)nc1
InChIInChI=1S/C18H12N12OS/c1-2-4-19-10(3-1)16-23-13(15-25-28-29-26-15)12(11-9-22-27-24-11)14(17-20-5-7-31-17)30(16)18-21-6-8-32-18/h1-9,16H,(H,22,24,27)(H,25,26,28,29)
InChIKeyXNTLFGZMDSNGBL-UHFFFAOYSA-N
MW444.44 g/mol
LogP1.73
Rot. Bonds5

About 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole

2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole (PubChem CID 141091605) has the molecular formula C18H12N12OS and a molecular weight of 444.44 g/mol. Its IUPAC name is 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole
PubChem CID141091605
Molecular FormulaC18H12N12OS
Molecular Weight444.44 g/mol
Exact Mass444.10
IUPAC Name2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole
SMILESc1ccc(C2N=C(c3nn[nH]n3)C(c3cn[nH]n3)=C(c3ncco3)N2c2nccs2)nc1
InChIInChI=1S/C18H12N12OS/c1-2-4-19-10(3-1)16-23-13(15-25-28-29-26-15)12(11-9-22-27-24-11)14(17-20-5-7-31-17)30(16)18-21-6-8-32-18/h1-9,16H,(H,22,24,27)(H,25,26,28,29)
InChIKeyXNTLFGZMDSNGBL-UHFFFAOYSA-N
XLogP1.73
TPSA163.44 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
CID 141050940
1,2-dimethylimidazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;methane;2-methyl-4-methylidene-1,3-thiazole;2-methyl-1,3-oxazole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;pyridine;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole
CID 160114148

Frequently Asked Questions

What is the IUPAC name of 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole (CID 141091605) is 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole is c1ccc(C2N=C(c3nn[nH]n3)C(c3cn[nH]n3)=C(c3ncco3)N2c2nccs2)nc1.
What is the InChIKey of 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole?
The InChIKey is XNTLFGZMDSNGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N12OS/c1-2-4-19-10(3-1)16-23-13(15-25-28-29-26-15)12(11-9-22-27-24-11)14(17-20-5-7-31-17)30(16)18-21-6-8-32-18/h1-9,16H,(H,22,24,27)(H,25,26,28,29).
What are the key properties of 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole?
2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole has a molecular weight of 444.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-pyridin-2-yl-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-2H-pyrimidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141091605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).