3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C9H14N2S — CID 11355873

IUPAC3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)(C)C1=CSC2=NCCN12
InChIInChI=1S/C9H14N2S/c1-9(2,3)7-6-12-8-10-4-5-11(7)8/h6H,4-5H2,1-3H3
InChIKeyJGXDCMNCAJLXDX-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.29
Rot. Bonds

About 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 11355873) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID11355873
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)(C)C1=CSC2=NCCN12
InChIInChI=1S/C9H14N2S/c1-9(2,3)7-6-12-8-10-4-5-11(7)8/h6H,4-5H2,1-3H3
InChIKeyJGXDCMNCAJLXDX-UHFFFAOYSA-N
XLogP2.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 11355873) is 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC(C)(C)C1=CSC2=NCCN12.
What is the InChIKey of 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is JGXDCMNCAJLXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-9(2,3)7-6-12-8-10-4-5-11(7)8/h6H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 182.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 11355873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).