5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C25H28N4OS — CID 133180618

IUPAC5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(-n2c(C)c(C)c(C3C(c4ccccn4)N=C4SC(C)CN43)c2C)cc1
InChIInChI=1S/C25H28N4OS/c1-15-14-28-24(23(27-25(28)31-15)21-8-6-7-13-26-21)22-16(2)17(3)29(18(22)4)19-9-11-20(30-5)12-10-19/h6-13,15,23-24H,14H2,1-5H3
InChIKeyAFDUWHIQDBFDLX-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.40
Rot. Bonds4

About 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 133180618) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID133180618
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC Name5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(-n2c(C)c(C)c(C3C(c4ccccn4)N=C4SC(C)CN43)c2C)cc1
InChIInChI=1S/C25H28N4OS/c1-15-14-28-24(23(27-25(28)31-15)21-8-6-7-13-26-21)22-16(2)17(3)29(18(22)4)19-9-11-20(30-5)12-10-19/h6-13,15,23-24H,14H2,1-5H3
InChIKeyAFDUWHIQDBFDLX-UHFFFAOYSA-N
XLogP5.40
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

(5R,6R)-5-(4-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 54776415
(2R,5R,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056618
(2R,5R,6R)-5-[1-(2-methoxyethyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055996
5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180533
(2R,5R,6R)-5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056322
5-(3,4-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180354
(2R,5S,6R)-5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053361
(2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053376
(2R,5R,6S)-5-(2,3-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056563
(2R,5R,6S)-5-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053930
5-(1-ethyl-5-methylpyrrol-2-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180613
(2R,5R,6S)-5-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055176

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 133180618) is 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is COc1ccc(-n2c(C)c(C)c(C3C(c4ccccn4)N=C4SC(C)CN43)c2C)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is AFDUWHIQDBFDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-15-14-28-24(23(27-25(28)31-15)21-8-6-7-13-26-21)22-16(2)17(3)29(18(22)4)19-9-11-20(30-5)12-10-19/h6-13,15,23-24H,14H2,1-5H3.
What are the key properties of 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 432.59 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133180618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).