(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C24H20N6OS — CID 22523687

IUPAC(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H20N6OS/c31-22(28-11-13-29(14-12-28)23-25-9-4-10-26-23)18-7-8-20-21(15-18)32-24-27-19(16-30(20)24)17-5-2-1-3-6-17/h1-10,15-16H,11-14H2
InChIKeyIBWRGZFCMMDZDX-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.97
Rot. Bonds3

About (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 22523687) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID22523687
Molecular FormulaC24H20N6OS
Molecular Weight440.53 g/mol
Exact Mass440.14
IUPAC Name(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H20N6OS/c31-22(28-11-13-29(14-12-28)23-25-9-4-10-26-23)18-7-8-20-21(15-18)32-24-27-19(16-30(20)24)17-5-2-1-3-6-17/h1-10,15-16H,11-14H2
InChIKeyIBWRGZFCMMDZDX-UHFFFAOYSA-N
XLogP3.97
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 22523687) is (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IBWRGZFCMMDZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c31-22(28-11-13-29(14-12-28)23-25-9-4-10-26-23)18-7-8-20-21(15-18)32-24-27-19(16-30(20)24)17-5-2-1-3-6-17/h1-10,15-16H,11-14H2.
What are the key properties of (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 440.53 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 22523687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).