6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H13N5S2 — CID 46203174

IUPAC6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1csc(-c2nnc3sc(-c4ccccc4)nn23)n1
InChIInChI=1S/C15H13N5S2/c1-9(2)11-8-21-14(16-11)12-17-18-15-20(12)19-13(22-15)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyPMNTXYALZGFGBE-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.10
Rot. Bonds3

About 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 46203174) has the molecular formula C15H13N5S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID46203174
Molecular FormulaC15H13N5S2
Molecular Weight327.44 g/mol
Exact Mass327.06
IUPAC Name6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1csc(-c2nnc3sc(-c4ccccc4)nn23)n1
InChIInChI=1S/C15H13N5S2/c1-9(2)11-8-21-14(16-11)12-17-18-15-20(12)19-13(22-15)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyPMNTXYALZGFGBE-UHFFFAOYSA-N
XLogP4.10
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Benzyl-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848719
3-[(2-Phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 2122833
3-Phenyl-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662711
3-(((2-Methylthiazol-4-yl)methyl)thio)-5-(p-tolyl)thiazolo[2,3-c][1,2,4]triazole
CID 1179308
5-(4-Chlorophenyl)-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]thio}[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 2938698
3-(((2-Methylthiazol-4-yl)methyl)thio)-5-phenylthiazolo[2,3-c][1,2,4]triazole
CID 3245231
3-Ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 121013902
2-phenyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 2079023
4-[5-Benzylsulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole
CID 2744098
3-(4-Isopropylthiazol-2-yl)-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 46203175
3-(4-Isopropylthiazol-2-yl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 46203176
3-(4-Isopropylthiazol-2-yl)-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 46203477

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 46203174) is 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)c1csc(-c2nnc3sc(-c4ccccc4)nn23)n1.
What is the InChIKey of 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is PMNTXYALZGFGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S2/c1-9(2)11-8-21-14(16-11)12-17-18-15-20(12)19-13(22-15)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 327.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 46203174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).