(2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C24H26N4S — CID 125056613

IUPAC(2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1ccccc1
InChIInChI=1S/C24H26N4S/c1-16-13-20(18(3)27(16)15-19-9-5-4-6-10-19)23-22(21-11-7-8-12-25-21)26-24-28(23)14-17(2)29-24/h4-13,17,22-23H,14-15H2,1-3H3/t17-,22+,23-/m1/s1
InChIKeyXUEQYDRPRPVQGM-MQNAVGNWSA-N
MW402.57 g/mol
LogP5.14
Rot. Bonds4

About (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125056613) has the molecular formula C24H26N4S and a molecular weight of 402.57 g/mol. Its IUPAC name is (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125056613
Molecular FormulaC24H26N4S
Molecular Weight402.57 g/mol
Exact Mass402.19
IUPAC Name(2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1ccccc1
InChIInChI=1S/C24H26N4S/c1-16-13-20(18(3)27(16)15-19-9-5-4-6-10-19)23-22(21-11-7-8-12-25-21)26-24-28(23)14-17(2)29-24/h4-13,17,22-23H,14-15H2,1-3H3/t17-,22+,23-/m1/s1
InChIKeyXUEQYDRPRPVQGM-MQNAVGNWSA-N
XLogP5.14
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 ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056317
(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
(2R,5R,6R)-5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055235
5-[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180553
(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-[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-[2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053334
5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180818
(2R,5R,6S)-5-[1-(2-ethyl-6-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056292
3-[2,5-dimethyl-3-[(2R,5R,6R)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrrol-1-yl]benzoic acid
CID 125056565
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

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125056613) is (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-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 (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1ccccc1.
What is the InChIKey of (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is XUEQYDRPRPVQGM-MQNAVGNWSA-N. The full InChI is InChI=1S/C24H26N4S/c1-16-13-20(18(3)27(16)15-19-9-5-4-6-10-19)23-22(21-11-7-8-12-25-21)26-24-28(23)14-17(2)29-24/h4-13,17,22-23H,14-15H2,1-3H3/t17-,22+,23-/m1/s1.
What are the key properties of (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-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 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125056613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).