N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C24H24N4O4S — CID 45190737

IUPACN-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cc(CN(Cc2cccnc2)C(=O)c2cn3ccsc3n2)ccc1OC1CCOC1
InChIInChI=1S/C24H24N4O4S/c1-30-22-11-17(4-5-21(22)32-19-6-9-31-16-19)13-28(14-18-3-2-7-25-12-18)23(29)20-15-27-8-10-33-24(27)26-20/h2-5,7-8,10-12,15,19H,6,9,13-14,16H2,1H3
InChIKeyVHDVDMIOHWFUOY-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.81
Rot. Bonds8

About N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 45190737) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID45190737
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cc(CN(Cc2cccnc2)C(=O)c2cn3ccsc3n2)ccc1OC1CCOC1
InChIInChI=1S/C24H24N4O4S/c1-30-22-11-17(4-5-21(22)32-19-6-9-31-16-19)13-28(14-18-3-2-7-25-12-18)23(29)20-15-27-8-10-33-24(27)26-20/h2-5,7-8,10-12,15,19H,6,9,13-14,16H2,1H3
InChIKeyVHDVDMIOHWFUOY-UHFFFAOYSA-N
XLogP3.81
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 45234882
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42277852
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 45233393
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 45225911
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 26340017
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2,3-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide
CID 45236153
(E)-3-(2-chlorophenyl)-N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 42366526
1-N,1-N-diethyl-4-N-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 10433759
5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxy-N-(pyridin-3-ylmethyl)anilino]-2-(trifluoromethyl)benzoic acid
CID 10323212
4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
CID 22747705
3-methyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 42433213

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 45190737) is N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1cc(CN(Cc2cccnc2)C(=O)c2cn3ccsc3n2)ccc1OC1CCOC1.
What is the InChIKey of N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is VHDVDMIOHWFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-30-22-11-17(4-5-21(22)32-19-6-9-31-16-19)13-28(14-18-3-2-7-25-12-18)23(29)20-15-27-8-10-33-24(27)26-20/h2-5,7-8,10-12,15,19H,6,9,13-14,16H2,1H3.
What are the key properties of N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 45190737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).