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

C22H28N4OS — CID 125051389

IUPACN,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
SMILESCCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1
InChIInChI=1S/C22H28N4OS/c1-5-25(6-2)16-10-11-17(19(13-16)27-4)21-20(18-9-7-8-12-23-18)24-22-26(21)14-15(3)28-22/h7-13,15,20-21H,5-6,14H2,1-4H3/t15-,20+,21-/m1/s1
InChIKeyCIYDLICFNYSYRJ-GQWLDOHISA-N
MW396.56 g/mol
LogP4.53
Rot. Bonds6

About 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

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 (PubChem CID 125051389) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID125051389
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC NameN,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
SMILESCCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1
InChIInChI=1S/C22H28N4OS/c1-5-25(6-2)16-10-11-17(19(13-16)27-4)21-20(18-9-7-8-12-23-18)24-22-26(21)14-15(3)28-22/h7-13,15,20-21H,5-6,14H2,1-4H3/t15-,20+,21-/m1/s1
InChIKeyCIYDLICFNYSYRJ-GQWLDOHISA-N
XLogP4.53
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(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,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
5-(3,4-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180354
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
(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,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
(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
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,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
(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)-5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056613

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1.
What is the InChIKey of 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?
The InChIKey is CIYDLICFNYSYRJ-GQWLDOHISA-N. The full InChI is InChI=1S/C22H28N4OS/c1-5-25(6-2)16-10-11-17(19(13-16)27-4)21-20(18-9-7-8-12-23-18)24-22-26(21)14-15(3)28-22/h7-13,15,20-21H,5-6,14H2,1-4H3/t15-,20+,21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 396.56 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 125051389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).