3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane

C11H15N3OS — CID 82621367

IUPAC3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane
SMILESCc1csc2nc(C3COCCCN3)cn12
InChIInChI=1S/C11H15N3OS/c1-8-7-16-11-13-9(5-14(8)11)10-6-15-4-2-3-12-10/h5,7,10,12H,2-4,6H2,1H3
InChIKeyFTEUBIKVNGFHDQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.76
Rot. Bonds1

About 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane

3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane (PubChem CID 82621367) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane.

Molecular Properties

Compound Name3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane
PubChem CID82621367
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane
SMILESCc1csc2nc(C3COCCCN3)cn12
InChIInChI=1S/C11H15N3OS/c1-8-7-16-11-13-9(5-14(8)11)10-6-15-4-2-3-12-10/h5,7,10,12H,2-4,6H2,1H3
InChIKeyFTEUBIKVNGFHDQ-UHFFFAOYSA-N
XLogP1.76
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane?
The IUPAC name of 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane (CID 82621367) is 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane.
What is the SMILES notation for 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane?
The canonical SMILES for 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane is Cc1csc2nc(C3COCCCN3)cn12.
What is the InChIKey of 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane?
The InChIKey is FTEUBIKVNGFHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8-7-16-11-13-9(5-14(8)11)10-6-15-4-2-3-12-10/h5,7,10,12H,2-4,6H2,1H3.
What are the key properties of 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane?
3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane has a molecular weight of 237.33 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane is sourced from PubChem (CID 82621367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).