(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

C20H21N5S2 — CID 125055235

IUPAC(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
SMILESCc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1nccs1
InChIInChI=1S/C20H21N5S2/c1-12-10-15(14(3)25(12)19-22-8-9-26-19)18-17(16-6-4-5-7-21-16)23-20-24(18)11-13(2)27-20/h4-10,13,17-18H,11H2,1-3H3/t13-,17+,18-/m1/s1
InChIKeyPNMUDKSBEINCEP-JEBQAFNWSA-N
MW395.56 g/mol
LogP4.53
Rot. Bonds3

About (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

(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 (PubChem CID 125055235) has the molecular formula C20H21N5S2 and a molecular weight of 395.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125055235
Molecular FormulaC20H21N5S2
Molecular Weight395.56 g/mol
Exact Mass395.12
IUPAC Name(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
SMILESCc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1nccs1
InChIInChI=1S/C20H21N5S2/c1-12-10-15(14(3)25(12)19-22-8-9-26-19)18-17(16-6-4-5-7-21-16)23-20-24(18)11-13(2)27-20/h4-10,13,17-18H,11H2,1-3H3/t13-,17+,18-/m1/s1
InChIKeyPNMUDKSBEINCEP-JEBQAFNWSA-N
XLogP4.53
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(2,6-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
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-[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
(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,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-(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
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
(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
(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
(2R,5R,6S)-5-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055176
(2R,5R,6R)-5-(5-bromo-2-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056559

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1nccs1.
What is the InChIKey of (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?
The InChIKey is PNMUDKSBEINCEP-JEBQAFNWSA-N. The full InChI is InChI=1S/C20H21N5S2/c1-12-10-15(14(3)25(12)19-22-8-9-26-19)18-17(16-6-4-5-7-21-16)23-20-24(18)11-13(2)27-20/h4-10,13,17-18H,11H2,1-3H3/t13-,17+,18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 395.56 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125055235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).