(2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C22H20ClN3OS — CID 125052800

IUPAC(2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1
InChIInChI=1S/C22H20ClN3OS/c1-13-6-7-15(23)11-16(13)18-8-9-19(27-18)21-20(17-5-3-4-10-24-17)25-22-26(21)12-14(2)28-22/h3-11,14,20-21H,12H2,1-2H3/t14-,20-,21-/m1/s1
InChIKeyINXFKVGVRHICLX-XMDBHEJHSA-N
MW409.94 g/mol
LogP5.89
Rot. Bonds3

About (2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125052800) has the molecular formula C22H20ClN3OS and a molecular weight of 409.94 g/mol. Its IUPAC name is (2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125052800
Molecular FormulaC22H20ClN3OS
Molecular Weight409.94 g/mol
Exact Mass409.10
IUPAC Name(2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1
InChIInChI=1S/C22H20ClN3OS/c1-13-6-7-15(23)11-16(13)18-8-9-19(27-18)21-20(17-5-3-4-10-24-17)25-22-26(21)12-14(2)28-22/h3-11,14,20-21H,12H2,1-2H3/t14-,20-,21-/m1/s1
InChIKeyINXFKVGVRHICLX-XMDBHEJHSA-N
XLogP5.89
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.94
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180604
(2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055657
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
(4R,5S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100527488
(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-(4-fluorophenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053426
(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
5-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180619
(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-ethyl-5-methylpyrrol-2-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180613
(5R,6R)-5-(4-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 54776415

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125052800) is (2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-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,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1.
What is the InChIKey of (2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is INXFKVGVRHICLX-XMDBHEJHSA-N. The full InChI is InChI=1S/C22H20ClN3OS/c1-13-6-7-15(23)11-16(13)18-8-9-19(27-18)21-20(17-5-3-4-10-24-17)25-22-26(21)12-14(2)28-22/h3-11,14,20-21H,12H2,1-2H3/t14-,20-,21-/m1/s1.
What are the key properties of (2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 409.94 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125052800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).