(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

C24H26N4S — CID 125056589

IUPAC(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
SMILESCC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)c(C)c3)N21
InChIInChI=1S/C24H26N4S/c1-4-18-15-29-24-26-22(20-8-5-6-12-25-20)23(28(18)24)21-9-7-13-27(21)19-11-10-16(2)17(3)14-19/h5-14,18,22-23H,4,15H2,1-3H3/t18-,22-,23+/m1/s1
InChIKeyXEXKKSRWECLJEF-YSZBQJHXSA-N
MW402.57 g/mol
LogP5.47
Rot. Bonds4

About (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

(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 (PubChem CID 125056589) has the molecular formula C24H26N4S and a molecular weight of 402.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125056589
Molecular FormulaC24H26N4S
Molecular Weight402.57 g/mol
Exact Mass402.19
IUPAC Name(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
SMILESCC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)c(C)c3)N21
InChIInChI=1S/C24H26N4S/c1-4-18-15-29-24-26-22(20-8-5-6-12-25-20)23(28(18)24)21-9-7-13-27(21)19-11-10-16(2)17(3)14-19/h5-14,18,22-23H,4,15H2,1-3H3/t18-,22-,23+/m1/s1
InChIKeyXEXKKSRWECLJEF-YSZBQJHXSA-N
XLogP5.47
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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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
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
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
4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine
CID 133180770
(3R,5S,6S)-3-ethyl-6-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052687

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)c(C)c3)N21.
What is the InChIKey of (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?
The InChIKey is XEXKKSRWECLJEF-YSZBQJHXSA-N. The full InChI is InChI=1S/C24H26N4S/c1-4-18-15-29-24-26-22(20-8-5-6-12-25-20)23(28(18)24)21-9-7-13-27(21)19-11-10-16(2)17(3)14-19/h5-14,18,22-23H,4,15H2,1-3H3/t18-,22-,23+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 402.57 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125056589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).