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(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

C25H26N4OS — CID 121031660

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(CCc3ccccc3)CC2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C25H26N4OS/c1-19-23(31-25-26-22(18-29(19)25)21-10-6-3-7-11-21)24(30)28-16-14-27(15-17-28)13-12-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3
InChIKeyWRIKGLBCYAVXHU-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.37
Rot. Bonds5

About (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 121031660) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID121031660
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(CCc3ccccc3)CC2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C25H26N4OS/c1-19-23(31-25-26-22(18-29(19)25)21-10-6-3-7-11-21)24(30)28-16-14-27(15-17-28)13-12-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3
InChIKeyWRIKGLBCYAVXHU-UHFFFAOYSA-N
XLogP4.37
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 121031660) is (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(CCc3ccccc3)CC2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is WRIKGLBCYAVXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-19-23(31-25-26-22(18-29(19)25)21-10-6-3-7-11-21)24(30)28-16-14-27(15-17-28)13-12-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3.
What are the key properties of (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 430.58 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 121031660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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