1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone

C19H20N4O2S — CID 134796652

IUPAC1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cn3cc(-c4ccc(C)cc4)sc3n2)CC1
InChIInChI=1S/C19H20N4O2S/c1-13-3-5-15(6-4-13)17-12-23-11-16(20-19(23)26-17)18(25)22-9-7-21(8-10-22)14(2)24/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPOXWGPATVGEHCM-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.68
Rot. Bonds2

About 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone (PubChem CID 134796652) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone
PubChem CID134796652
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cn3cc(-c4ccc(C)cc4)sc3n2)CC1
InChIInChI=1S/C19H20N4O2S/c1-13-3-5-15(6-4-13)17-12-23-11-16(20-19(23)26-17)18(25)22-9-7-21(8-10-22)14(2)24/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPOXWGPATVGEHCM-UHFFFAOYSA-N
XLogP2.68
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone (CID 134796652) is 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cn3cc(-c4ccc(C)cc4)sc3n2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is POXWGPATVGEHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-3-5-15(6-4-13)17-12-23-11-16(20-19(23)26-17)18(25)22-9-7-21(8-10-22)14(2)24/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 368.46 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134796652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).