(2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C21H23FN4S — CID 125056030

IUPAC(2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESC[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)c(F)c2)S1
InChIInChI=1S/C21H23FN4S/c1-14-13-26-20(19(24-21(26)27-14)17-6-2-3-9-23-17)15-7-8-18(16(22)12-15)25-10-4-5-11-25/h2-3,6-9,12,14,19-20H,4-5,10-11,13H2,1H3/t14-,19+,20-/m1/s1
InChIKeyUBXFJOUWZFLNCY-VOBQZIQPSA-N
MW382.51 g/mol
LogP4.41
Rot. Bonds3

About (2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125056030) has the molecular formula C21H23FN4S and a molecular weight of 382.51 g/mol. Its IUPAC name is (2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-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-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125056030
Molecular FormulaC21H23FN4S
Molecular Weight382.51 g/mol
Exact Mass382.16
IUPAC Name(2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESC[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)c(F)c2)S1
InChIInChI=1S/C21H23FN4S/c1-14-13-26-20(19(24-21(26)27-14)17-6-2-3-9-23-17)15-7-8-18(16(22)12-15)25-10-4-5-11-25/h2-3,6-9,12,14,19-20H,4-5,10-11,13H2,1H3/t14-,19+,20-/m1/s1
InChIKeyUBXFJOUWZFLNCY-VOBQZIQPSA-N
XLogP4.41
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180511
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
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-(4-fluorophenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053426
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,6S)-3-ethyl-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050977
(5R,6R)-5-(4-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 54776415
(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,6S)-5-(3-bromo-4-ethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055606
(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
4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol
CID 133180381
(2R,5R,6S)-5-(3-bromo-4-propan-2-yloxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051484

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-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-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125056030) is (2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-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-(3-fluoro-4-pyrrolidin-1-ylphenyl)-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-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)c(F)c2)S1.
What is the InChIKey of (2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is UBXFJOUWZFLNCY-VOBQZIQPSA-N. The full InChI is InChI=1S/C21H23FN4S/c1-14-13-26-20(19(24-21(26)27-14)17-6-2-3-9-23-17)15-7-8-18(16(22)12-15)25-10-4-5-11-25/h2-3,6-9,12,14,19-20H,4-5,10-11,13H2,1H3/t14-,19+,20-/m1/s1.
What are the key properties of (2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 382.51 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125056030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).