2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide

C21H23N3O3S — CID 37275507

IUPAC2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1nc(-c2ccco2)sc1C
InChIInChI=1S/C21H23N3O3S/c1-4-11-24(13-18(25)22-16-9-6-5-8-14(16)2)21(26)19-15(3)28-20(23-19)17-10-7-12-27-17/h5-10,12H,4,11,13H2,1-3H3,(H,22,25)
InChIKeyVTRMLPYLZVIDRG-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.51
Rot. Bonds7

About 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 37275507) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID37275507
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1nc(-c2ccco2)sc1C
InChIInChI=1S/C21H23N3O3S/c1-4-11-24(13-18(25)22-16-9-6-5-8-14(16)2)21(26)19-15(3)28-20(23-19)17-10-7-12-27-17/h5-10,12H,4,11,13H2,1-3H3,(H,22,25)
InChIKeyVTRMLPYLZVIDRG-UHFFFAOYSA-N
XLogP4.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 61012772
4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 38488519
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530777
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 46554976
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
N-cyclobutyl-2-(furan-2-yl)-N-(2-hydroxyethyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 102684339
N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 134022961
N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51143508
2-(furan-2-yl)-5-methyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55893940
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 37275507) is 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1nc(-c2ccco2)sc1C.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is VTRMLPYLZVIDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-11-24(13-18(25)22-16-9-6-5-8-14(16)2)21(26)19-15(3)28-20(23-19)17-10-7-12-27-17/h5-10,12H,4,11,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 37275507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).