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

C15H14N6S2 — CID 39350084

IUPAC3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1nnc2sc(Cc3csc(-c4ccccn4)n3)nn12
InChIInChI=1S/C15H14N6S2/c1-9(2)13-18-19-15-21(13)20-12(23-15)7-10-8-22-14(17-10)11-5-3-4-6-16-11/h3-6,8-9H,7H2,1-2H3
InChIKeySGENATHASISWPD-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.42
Rot. Bonds4

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

3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 39350084) has the molecular formula C15H14N6S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID39350084
Molecular FormulaC15H14N6S2
Molecular Weight342.45 g/mol
Exact Mass342.07
IUPAC Name3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1nnc2sc(Cc3csc(-c4ccccn4)n3)nn12
InChIInChI=1S/C15H14N6S2/c1-9(2)13-18-19-15-21(13)20-12(23-15)7-10-8-22-14(17-10)11-5-3-4-6-16-11/h3-6,8-9H,7H2,1-2H3
InChIKeySGENATHASISWPD-UHFFFAOYSA-N
XLogP3.42
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 39350084) is 3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)c1nnc2sc(Cc3csc(-c4ccccn4)n3)nn12.
What is the InChIKey of 3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is SGENATHASISWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S2/c1-9(2)13-18-19-15-21(13)20-12(23-15)7-10-8-22-14(17-10)11-5-3-4-6-16-11/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 342.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 39350084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).