(4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone

C17H19N5OS — CID 134798660

IUPAC(4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESCCN1CCN(C(=O)c2nc3sccn3c2-c2cccnc2)CC1
InChIInChI=1S/C17H19N5OS/c1-2-20-6-8-21(9-7-20)16(23)14-15(13-4-3-5-18-12-13)22-10-11-24-17(22)19-14/h3-5,10-12H,2,6-9H2,1H3
InChIKeyCDGNILAPVKGRQY-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.24
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone

(4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone (PubChem CID 134798660) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
PubChem CID134798660
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name(4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESCCN1CCN(C(=O)c2nc3sccn3c2-c2cccnc2)CC1
InChIInChI=1S/C17H19N5OS/c1-2-20-6-8-21(9-7-20)16(23)14-15(13-4-3-5-18-12-13)22-10-11-24-17(22)19-14/h3-5,10-12H,2,6-9H2,1H3
InChIKeyCDGNILAPVKGRQY-UHFFFAOYSA-N
XLogP2.24
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone (CID 134798660) is (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone is CCN1CCN(C(=O)c2nc3sccn3c2-c2cccnc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The InChIKey is CDGNILAPVKGRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-2-20-6-8-21(9-7-20)16(23)14-15(13-4-3-5-18-12-13)22-10-11-24-17(22)19-14/h3-5,10-12H,2,6-9H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
(4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone has a molecular weight of 341.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone is sourced from PubChem (CID 134798660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).