(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

C23H24N4S — CID 125056850

IUPAC(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
SMILESCC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)cc3)N21
InChIInChI=1S/C23H24N4S/c1-3-17-15-28-23-25-21(19-7-4-5-13-24-19)22(27(17)23)20-8-6-14-26(20)18-11-9-16(2)10-12-18/h4-14,17,21-22H,3,15H2,1-2H3/t17-,21-,22+/m1/s1
InChIKeyYLABLIRCSGCHMF-YHYVQYDKSA-N
MW388.54 g/mol
LogP5.16
Rot. Bonds4

About (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

(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 (PubChem CID 125056850) has the molecular formula C23H24N4S and a molecular weight of 388.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125056850
Molecular FormulaC23H24N4S
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name(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
SMILESCC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)cc3)N21
InChIInChI=1S/C23H24N4S/c1-3-17-15-28-23-25-21(19-7-4-5-13-24-19)22(27(17)23)20-8-6-14-26(20)18-11-9-16(2)10-12-18/h4-14,17,21-22H,3,15H2,1-2H3/t17-,21-,22+/m1/s1
InChIKeyYLABLIRCSGCHMF-YHYVQYDKSA-N
XLogP5.16
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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,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
(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-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
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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)cc3)N21.
What is the InChIKey of (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?
The InChIKey is YLABLIRCSGCHMF-YHYVQYDKSA-N. The full InChI is InChI=1S/C23H24N4S/c1-3-17-15-28-23-25-21(19-7-4-5-13-24-19)22(27(17)23)20-8-6-14-26(20)18-11-9-16(2)10-12-18/h4-14,17,21-22H,3,15H2,1-2H3/t17-,21-,22+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 388.54 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125056850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).