(2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C22H24N4S — CID 125051991

IUPAC(2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)n1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c2ccccc21
InChIInChI=1S/C22H24N4S/c1-14(2)25-13-17(16-8-4-5-10-19(16)25)21-20(18-9-6-7-11-23-18)24-22-26(21)12-15(3)27-22/h4-11,13-15,20-21H,12H2,1-3H3/t15-,20+,21+/m1/s1
InChIKeyGQGFVMNWSARRJH-NQERJWCQSA-N
MW376.53 g/mol
LogP5.21
Rot. Bonds3

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

(2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125051991) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is (2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125051991
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name(2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)n1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c2ccccc21
InChIInChI=1S/C22H24N4S/c1-14(2)25-13-17(16-8-4-5-10-19(16)25)21-20(18-9-6-7-11-23-18)24-22-26(21)12-15(3)27-22/h4-11,13-15,20-21H,12H2,1-3H3/t15-,20+,21+/m1/s1
InChIKeyGQGFVMNWSARRJH-NQERJWCQSA-N
XLogP5.21
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5R,6R)-2-methyl-5-(1-propan-2-ylpyrrol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050928
(2R,5R,6S)-5-(2,3-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056563
(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,6R)-2-methyl-6-pyridin-2-yl-5-pyridin-3-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052672
(2R,5R,6R)-2-methyl-5-(1-phenylpyrrol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051387
(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
(5R,6R)-5-(4-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 54776415
5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180496
2-methyl-5-(4-piperidin-1-ylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180510
(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
(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

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125051991) is (2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for (2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CC(C)n1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c2ccccc21.
What is the InChIKey of (2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is GQGFVMNWSARRJH-NQERJWCQSA-N. The full InChI is InChI=1S/C22H24N4S/c1-14(2)25-13-17(16-8-4-5-10-19(16)25)21-20(18-9-6-7-11-23-18)24-22-26(21)12-15(3)27-22/h4-11,13-15,20-21H,12H2,1-3H3/t15-,20+,21+/m1/s1.
What are the key properties of (2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 376.53 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6R)-2-methyl-5-(1-propan-2-ylindol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125051991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).