N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C21H26N4O2S — CID 118264362

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc(N4CC(C)OC(C)C4)cc3)c(C)nc2s1
InChIInChI=1S/C21H26N4O2S/c1-13-10-24(11-14(2)27-13)18-7-5-17(6-8-18)9-22-20(26)19-16(4)23-21-25(19)12-15(3)28-21/h5-8,12-14H,9-11H2,1-4H3,(H,22,26)
InChIKeySNVRKCGFUNVLRX-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.56
Rot. Bonds4

About N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118264362) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118264362
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc(N4CC(C)OC(C)C4)cc3)c(C)nc2s1
InChIInChI=1S/C21H26N4O2S/c1-13-10-24(11-14(2)27-13)18-7-5-17(6-8-18)9-22-20(26)19-16(4)23-21-25(19)12-15(3)28-21/h5-8,12-14H,9-11H2,1-4H3,(H,22,26)
InChIKeySNVRKCGFUNVLRX-UHFFFAOYSA-N
XLogP3.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118267882
2-fluoro-6-methyl-N-[[4-(4-oxopiperidin-1-yl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 135193987
2-chloro-6-methyl-N-[[4-(4-oxopiperidin-1-yl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 135194084
2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126710479
N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264350
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264313
1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-3-isoquinolin-1-ylurea
CID 91423005
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264341
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264342

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118264362) is N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cn2c(C(=O)NCc3ccc(N4CC(C)OC(C)C4)cc3)c(C)nc2s1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is SNVRKCGFUNVLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-13-10-24(11-14(2)27-13)18-7-5-17(6-8-18)9-22-20(26)19-16(4)23-21-25(19)12-15(3)28-21/h5-8,12-14H,9-11H2,1-4H3,(H,22,26).
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118264362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).