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

C22H22N4OS — CID 133180869

IUPAC4-[2-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)pyrrol-1-yl]phenol
SMILESCCC1CSC2=NC(c3ccccn3)C(c3cccn3-c3ccc(O)cc3)N21
InChIInChI=1S/C22H22N4OS/c1-2-15-14-28-22-24-20(18-6-3-4-12-23-18)21(26(15)22)19-7-5-13-25(19)16-8-10-17(27)11-9-16/h3-13,15,20-21,27H,2,14H2,1H3
InChIKeyHVNHJGGOJWWVHH-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.56
Rot. Bonds4

About 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

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 (PubChem CID 133180869) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[2-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)pyrrol-1-yl]phenol
PubChem CID133180869
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name4-[2-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)pyrrol-1-yl]phenol
SMILESCCC1CSC2=NC(c3ccccn3)C(c3cccn3-c3ccc(O)cc3)N21
InChIInChI=1S/C22H22N4OS/c1-2-15-14-28-22-24-20(18-6-3-4-12-23-18)21(26(15)22)19-7-5-13-25(19)16-8-10-17(27)11-9-16/h3-13,15,20-21,27H,2,14H2,1H3
InChIKeyHVNHJGGOJWWVHH-UHFFFAOYSA-N
XLogP4.56
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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,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)-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
3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180854
(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
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,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,6R)-3-ethyl-5-(4-piperidin-1-ylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056592
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CSC2=NC(c3ccccn3)C(c3cccn3-c3ccc(O)cc3)N21.
What is the InChIKey of 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?
The InChIKey is HVNHJGGOJWWVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-2-15-14-28-22-24-20(18-6-3-4-12-23-18)21(26(15)22)19-7-5-13-25(19)16-8-10-17(27)11-9-16/h3-13,15,20-21,27H,2,14H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 390.51 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 133180869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).