5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole

C10H14N2S — CID 91451654

IUPAC5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCCC(C)c1c(C)nc2sccn12
InChIInChI=1S/C10H14N2S/c1-4-7(2)9-8(3)11-10-12(9)5-6-13-10/h5-7H,4H2,1-3H3
InChIKeyNKQYMWORFFTZKI-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.22
Rot. Bonds2

About 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole

5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 91451654) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID91451654
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCCC(C)c1c(C)nc2sccn12
InChIInChI=1S/C10H14N2S/c1-4-7(2)9-8(3)11-10-12(9)5-6-13-10/h5-7H,4H2,1-3H3
InChIKeyNKQYMWORFFTZKI-UHFFFAOYSA-N
XLogP3.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole (CID 91451654) is 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole is CCC(C)c1c(C)nc2sccn12.
What is the InChIKey of 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is NKQYMWORFFTZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-4-7(2)9-8(3)11-10-12(9)5-6-13-10/h5-7H,4H2,1-3H3.
What are the key properties of 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole?
5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 194.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 91451654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).