(2R,5R,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C22H22N4OS — CID 125056618

IUPAC(2R,5R,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(-n2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2)cc1
InChIInChI=1S/C22H22N4OS/c1-15-13-26-21(20(24-22(26)28-15)19-5-3-4-11-23-19)16-10-12-25(14-16)17-6-8-18(27-2)9-7-17/h3-12,14-15,20-21H,13H2,1-2H3/t15-,20-,21-/m1/s1
InChIKeyXXXCVYINRMRJNP-IPHXSNPTSA-N
MW390.51 g/mol
LogP4.47
Rot. Bonds4

About (2R,5R,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(2R,5R,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125056618) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is (2R,5R,6S)-5-[1-(4-methoxyphenyl)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,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125056618
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name(2R,5R,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(-n2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2)cc1
InChIInChI=1S/C22H22N4OS/c1-15-13-26-21(20(24-22(26)28-15)19-5-3-4-11-23-19)16-10-12-25(14-16)17-6-8-18(27-2)9-7-17/h3-12,14-15,20-21H,13H2,1-2H3/t15-,20-,21-/m1/s1
InChIKeyXXXCVYINRMRJNP-IPHXSNPTSA-N
XLogP4.47
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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-(4-methoxyphenyl)-2,4,5-trimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180618
(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
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
5-(3,4-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180354
(3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051874
2-bromo-6-methoxy-4-[(2R,5R,6R)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol
CID 125053422
(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)-5-(4-fluorophenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053426
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,5S,6R)-5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053361

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6S)-5-[1-(4-methoxyphenyl)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,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125056618) is (2R,5R,6S)-5-[1-(4-methoxyphenyl)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,6S)-5-[1-(4-methoxyphenyl)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,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is COc1ccc(-n2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2)cc1.
What is the InChIKey of (2R,5R,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is XXXCVYINRMRJNP-IPHXSNPTSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-15-13-26-21(20(24-22(26)28-15)19-5-3-4-11-23-19)16-10-12-25(14-16)17-6-8-18(27-2)9-7-17/h3-12,14-15,20-21H,13H2,1-2H3/t15-,20-,21-/m1/s1.
What are the key properties of (2R,5R,6S)-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(2R,5R,6S)-5-[1-(4-methoxyphenyl)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 390.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6S)-5-[1-(4-methoxyphenyl)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 125056618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).