2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile

C15H22N4S — CID 122220242

IUPAC2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile
SMILESCCCCc1nc2sccn2c1NC(C#N)CCCC
InChIInChI=1S/C15H22N4S/c1-3-5-7-12(11-16)17-14-13(8-6-4-2)18-15-19(14)9-10-20-15/h9-10,12,17H,3-8H2,1-2H3
InChIKeyUUGYSWCWRCMONU-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.23
Rot. Bonds8

About 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile

2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile (PubChem CID 122220242) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile.

Molecular Properties

Compound Name2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile
PubChem CID122220242
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile
SMILESCCCCc1nc2sccn2c1NC(C#N)CCCC
InChIInChI=1S/C15H22N4S/c1-3-5-7-12(11-16)17-14-13(8-6-4-2)18-15-19(14)9-10-20-15/h9-10,12,17H,3-8H2,1-2H3
InChIKeyUUGYSWCWRCMONU-UHFFFAOYSA-N
XLogP4.23
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile?
The IUPAC name of 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile (CID 122220242) is 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile.
What is the SMILES notation for 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile?
The canonical SMILES for 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile is CCCCc1nc2sccn2c1NC(C#N)CCCC.
What is the InChIKey of 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile?
The InChIKey is UUGYSWCWRCMONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-5-7-12(11-16)17-14-13(8-6-4-2)18-15-19(14)9-10-20-15/h9-10,12,17H,3-8H2,1-2H3.
What are the key properties of 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile?
2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile has a molecular weight of 290.44 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-butylimidazo[2,1-b][1,3]thiazol-5-yl)amino]hexanenitrile is sourced from PubChem (CID 122220242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).