3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C17H20N4S — CID 133180854

IUPAC3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCCC1CSC2=NC(c3ccccn3)C(c3cccn3C)N21
InChIInChI=1S/C17H20N4S/c1-3-12-11-22-17-19-15(13-7-4-5-9-18-13)16(21(12)17)14-8-6-10-20(14)2/h4-10,12,15-16H,3,11H2,1-2H3
InChIKeyJFDTUXYKYFEBFE-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.40
Rot. Bonds3

About 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 133180854) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID133180854
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCCC1CSC2=NC(c3ccccn3)C(c3cccn3C)N21
InChIInChI=1S/C17H20N4S/c1-3-12-11-22-17-19-15(13-7-4-5-9-18-13)16(21(12)17)14-8-6-10-20(14)2/h4-10,12,15-16H,3,11H2,1-2H3
InChIKeyJFDTUXYKYFEBFE-UHFFFAOYSA-N
XLogP3.40
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-6-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180879
(3R,5R,6R)-3-ethyl-6-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056889
(3R,5R,6S)-3-ethyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056850
(3R,5R,6R)-3-ethyl-5-[1-(4-fluorophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050957
4-[2-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)pyrrol-1-yl]phenol
CID 133180869
(3R,5R,6S)-3-ethyl-5-[1-(4-fluorophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050958
(3R,5R,6S)-3-ethyl-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056603
(3R,5R,6S)-5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056589
3-ethyl-5-[1-(3-fluorophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180863
(3R,5S,6R)-3-ethyl-5-(2-methylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056927
(3R,5S,6S)-5-(2-bromophenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125054773
(3R,5R,6R)-3-ethyl-5-(5-phenylfuran-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053956

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 133180854) is 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CCC1CSC2=NC(c3ccccn3)C(c3cccn3C)N21.
What is the InChIKey of 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is JFDTUXYKYFEBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-3-12-11-22-17-19-15(13-7-4-5-9-18-13)16(21(12)17)14-8-6-10-20(14)2/h4-10,12,15-16H,3,11H2,1-2H3.
What are the key properties of 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 312.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133180854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).