1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine

C14H22N4OS — CID 63794903

IUPAC1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(N2CCCOCC2)nc2sccn12
InChIInChI=1S/C14H22N4OS/c1-2-11(15)10-12-13(16-14-18(12)6-9-20-14)17-4-3-7-19-8-5-17/h6,9,11H,2-5,7-8,10,15H2,1H3
InChIKeyDEIMPVHLDBVMDK-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.90
Rot. Bonds4

About 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine

1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (PubChem CID 63794903) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
PubChem CID63794903
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(N2CCCOCC2)nc2sccn12
InChIInChI=1S/C14H22N4OS/c1-2-11(15)10-12-13(16-14-18(12)6-9-20-14)17-4-3-7-19-8-5-17/h6,9,11H,2-5,7-8,10,15H2,1H3
InChIKeyDEIMPVHLDBVMDK-UHFFFAOYSA-N
XLogP1.90
TPSA55.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The IUPAC name of 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (CID 63794903) is 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The canonical SMILES for 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is CCC(N)Cc1c(N2CCCOCC2)nc2sccn12.
What is the InChIKey of 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The InChIKey is DEIMPVHLDBVMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-2-11(15)10-12-13(16-14-18(12)6-9-20-14)17-4-3-7-19-8-5-17/h6,9,11H,2-5,7-8,10,15H2,1H3.
What are the key properties of 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine has a molecular weight of 294.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63794903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).