4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine

C23H28N4O3S — CID 125054108

IUPAC4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine
SMILESCOc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21
InChIInChI=1S/C23H28N4O3S/c1-15-14-27-22(21(25-23(27)31-15)17-6-4-5-7-24-17)16-12-20(29-3)18(13-19(16)28-2)26-8-10-30-11-9-26/h4-7,12-13,15,21-22H,8-11,14H2,1-3H3/t15-,21-,22-/m1/s1
InChIKeyLOGGNXOYPXWLDM-UJUVCNOISA-N
MW440.57 g/mol
LogP3.52
Rot. Bonds5

About 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine

4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine (PubChem CID 125054108) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine
PubChem CID125054108
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine
SMILESCOc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21
InChIInChI=1S/C23H28N4O3S/c1-15-14-27-22(21(25-23(27)31-15)17-6-4-5-7-24-17)16-12-20(29-3)18(13-19(16)28-2)26-8-10-30-11-9-26/h4-7,12-13,15,21-22H,8-11,14H2,1-3H3/t15-,21-,22-/m1/s1
InChIKeyLOGGNXOYPXWLDM-UJUVCNOISA-N
XLogP3.52
TPSA59.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine with MolForge

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Related Compounds

(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
(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
5-(3,4-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180354
N,N-diethyl-3-methoxy-4-[(2R,5R,6R)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]aniline
CID 125051389
(5R,6R)-5-(4-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 54776415
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-5-(6-propoxy-1,3-benzodioxol-5-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052786
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,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
(2R,5R,6S)-5-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056571
2-methyl-5-(4-piperidin-1-ylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180510

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine?
The IUPAC name of 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine (CID 125054108) is 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine is COc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21.
What is the InChIKey of 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine?
The InChIKey is LOGGNXOYPXWLDM-UJUVCNOISA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-15-14-27-22(21(25-23(27)31-15)17-6-4-5-7-24-17)16-12-20(29-3)18(13-19(16)28-2)26-8-10-30-11-9-26/h4-7,12-13,15,21-22H,8-11,14H2,1-3H3/t15-,21-,22-/m1/s1.
What are the key properties of 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine?
4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine has a molecular weight of 440.57 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine is sourced from PubChem (CID 125054108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).