N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

C20H24N4O3S — CID 97446626

IUPACN-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1
InChIInChI=1S/C20H24N4O3S/c1-23(10-11-26-2)20(25)17-13-21-19(28-17)18-15-7-6-14(12-16(15)27-22-18)24-8-4-3-5-9-24/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyCXKDJSBDLFDVFI-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.66
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 97446626) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID97446626
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1
InChIInChI=1S/C20H24N4O3S/c1-23(10-11-26-2)20(25)17-13-21-19(28-17)18-15-7-6-14(12-16(15)27-22-18)24-8-4-3-5-9-24/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyCXKDJSBDLFDVFI-UHFFFAOYSA-N
XLogP3.66
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone
CID 97446559
N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446624
N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446643
2-(6-(4-Methylpiperidin-1-yl)benzo[d]isoxazol-3-yl)thiazole-5-carboxylic acid
CID 118738930
[4-(Dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone
CID 97446669
(2-{(E)-2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-vinyl}-thiazol-5-yl)-morpholin-4-yl-methanone
CID 49780480
2-[(4R,6S,7S)-17-fluoro-4,6-dimethyl-2',4',6'-trioxospiro[5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene-8,3'-piperidine]-13-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 58457159
[2-[2-[3-(5-Fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 66643635
[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol
CID 67358166
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol
CID 67358745
2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 67431985
[6-(2,6-Dimethylmorpholin-4-yl)-7-fluoro-3-(1,3-thiazol-2-yl)-1,2-benzoxazol-5-yl]methanol
CID 77272661

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (CID 97446626) is N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is COCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CXKDJSBDLFDVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-23(10-11-26-2)20(25)17-13-21-19(28-17)18-15-7-6-14(12-16(15)27-22-18)24-8-4-3-5-9-24/h6-7,12-13H,3-5,8-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97446626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).