2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile

C14H19N5S — CID 84757387

IUPAC2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
SMILESCc1nc2scc(C)n2c1C(C#N)N1CCN(C)CC1
InChIInChI=1S/C14H19N5S/c1-10-9-20-14-16-11(2)13(19(10)14)12(8-15)18-6-4-17(3)5-7-18/h9,12H,4-7H2,1-3H3
InChIKeyUHPAQCFEDCEWKZ-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.82
Rot. Bonds2

About 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile

2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile (PubChem CID 84757387) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
PubChem CID84757387
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
SMILESCc1nc2scc(C)n2c1C(C#N)N1CCN(C)CC1
InChIInChI=1S/C14H19N5S/c1-10-9-20-14-16-11(2)13(19(10)14)12(8-15)18-6-4-17(3)5-7-18/h9,12H,4-7H2,1-3H3
InChIKeyUHPAQCFEDCEWKZ-UHFFFAOYSA-N
XLogP1.82
TPSA47.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile (CID 84757387) is 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile is Cc1nc2scc(C)n2c1C(C#N)N1CCN(C)CC1.
What is the InChIKey of 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
The InChIKey is UHPAQCFEDCEWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-10-9-20-14-16-11(2)13(19(10)14)12(8-15)18-6-4-17(3)5-7-18/h9,12H,4-7H2,1-3H3.
What are the key properties of 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile has a molecular weight of 289.41 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84757387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).