N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

C21H25N3O2S — CID 38582896

IUPACN-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1
InChIInChI=1S/C21H25N3O2S/c1-5-24(6-2)13-16-8-7-9-17(12-16)23-20(25)19-15(4)22-21(27-19)18-11-10-14(3)26-18/h7-12H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyHUENXJWECYDJGN-UHFFFAOYSA-N
MW383.52 g/mol
LogP5.11
Rot. Bonds7

About N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 38582896) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID38582896
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1
InChIInChI=1S/C21H25N3O2S/c1-5-24(6-2)13-16-8-7-9-17(12-16)23-20(25)19-15(4)22-21(27-19)18-11-10-14(3)26-18/h7-12H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyHUENXJWECYDJGN-UHFFFAOYSA-N
XLogP5.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886558
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38404531
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38592392
4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 46436507
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 38808470
N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38748212
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38489499
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38484325
2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119233508
N-(1H-indazol-7-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38487420
4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide
CID 55676640

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 38582896) is N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is CCN(CC)Cc1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1.
What is the InChIKey of N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HUENXJWECYDJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-5-24(6-2)13-16-8-7-9-17(12-16)23-20(25)19-15(4)22-21(27-19)18-11-10-14(3)26-18/h7-12H,5-6,13H2,1-4H3,(H,23,25).
What are the key properties of N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38582896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).