5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C10H15N3S — CID 59841462

IUPAC5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)c1nc2scnn2c1C(C)C
InChIInChI=1S/C10H15N3S/c1-6(2)8-9(7(3)4)13-10(12-8)14-5-11-13/h5-7H,1-4H3
InChIKeyKRSBPDTTYPELQY-UHFFFAOYSA-N
MW209.32 g/mol
LogP3.04
Rot. Bonds2

About 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 59841462) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID59841462
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)c1nc2scnn2c1C(C)C
InChIInChI=1S/C10H15N3S/c1-6(2)8-9(7(3)4)13-10(12-8)14-5-11-13/h5-7H,1-4H3
InChIKeyKRSBPDTTYPELQY-UHFFFAOYSA-N
XLogP3.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 59841462) is 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is CC(C)c1nc2scnn2c1C(C)C.
What is the InChIKey of 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KRSBPDTTYPELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-6(2)8-9(7(3)4)13-10(12-8)14-5-11-13/h5-7H,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 209.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 59841462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).