2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide

C24H25N3O2S — CID 112804816

IUPAC2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
SMILESCc1cn2c(CN(C)C(=O)COC(c3ccccc3)c3ccccc3)c(C)nc2s1
InChIInChI=1S/C24H25N3O2S/c1-17-14-27-21(18(2)25-24(27)30-17)15-26(3)22(28)16-29-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-14,23H,15-16H2,1-3H3
InChIKeyDDMOQXBILBLCKI-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.78
Rot. Bonds7

About 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide

2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide (PubChem CID 112804816) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
PubChem CID112804816
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
SMILESCc1cn2c(CN(C)C(=O)COC(c3ccccc3)c3ccccc3)c(C)nc2s1
InChIInChI=1S/C24H25N3O2S/c1-17-14-27-21(18(2)25-24(27)30-17)15-26(3)22(28)16-29-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-14,23H,15-16H2,1-3H3
InChIKeyDDMOQXBILBLCKI-UHFFFAOYSA-N
XLogP4.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
CID 112804713
3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide
CID 112804711
1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 75404048
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 154762477
2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
CID 71943894
2-benzhydryloxy-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763735
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 154736217
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 112806596
4-(difluoromethylsulfonyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylbenzamide
CID 112803432
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
CID 112804733
2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55359274
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 112804880

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide (CID 112804816) is 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide is Cc1cn2c(CN(C)C(=O)COC(c3ccccc3)c3ccccc3)c(C)nc2s1.
What is the InChIKey of 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide?
The InChIKey is DDMOQXBILBLCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17-14-27-21(18(2)25-24(27)30-17)15-26(3)22(28)16-29-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-14,23H,15-16H2,1-3H3.
What are the key properties of 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide?
2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide has a molecular weight of 419.55 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 112804816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).