6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

C13H16N4S2 — CID 106260209

IUPAC6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc(C)c(-c2cn3nc(CC(C)C)sc3n2)s1
InChIInChI=1S/C13H16N4S2/c1-7(2)5-11-16-17-6-10(15-13(17)19-11)12-8(3)14-9(4)18-12/h6-7H,5H2,1-4H3
InChIKeyZSTZAXPMSAAIEA-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.73
Rot. Bonds3

About 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole

6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 106260209) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID106260209
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc(C)c(-c2cn3nc(CC(C)C)sc3n2)s1
InChIInChI=1S/C13H16N4S2/c1-7(2)5-11-16-17-6-10(15-13(17)19-11)12-8(3)14-9(4)18-12/h6-7H,5H2,1-4H3
InChIKeyZSTZAXPMSAAIEA-UHFFFAOYSA-N
XLogP3.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 106260209) is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is Cc1nc(C)c(-c2cn3nc(CC(C)C)sc3n2)s1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZSTZAXPMSAAIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-7(2)5-11-16-17-6-10(15-13(17)19-11)12-8(3)14-9(4)18-12/h6-7H,5H2,1-4H3.
What are the key properties of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 292.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 106260209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).