5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide

C19H20N2O3S — CID 19446949

IUPAC5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)Nc2nc(C)c(C)s2)o1
InChIInChI=1S/C19H20N2O3S/c1-11-6-5-7-12(2)17(11)23-10-15-8-9-16(24-15)18(22)21-19-20-13(3)14(4)25-19/h5-9H,10H2,1-4H3,(H,20,21,22)
InChIKeyZQZCMBTWLSSDGM-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.80
Rot. Bonds5

About 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide

5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 19446949) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID19446949
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)Nc2nc(C)c(C)s2)o1
InChIInChI=1S/C19H20N2O3S/c1-11-6-5-7-12(2)17(11)23-10-15-8-9-16(24-15)18(22)21-19-20-13(3)14(4)25-19/h5-9H,10H2,1-4H3,(H,20,21,22)
InChIKeyZQZCMBTWLSSDGM-UHFFFAOYSA-N
XLogP4.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 19415409
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465525
4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 19488696
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19462971
N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446793
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 82344433
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 43837087
propan-2-yl 5-carbamoyl-2-[[5-[(2,6-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19446825
N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415531
5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19466860
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35523457
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19393742

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 19446949) is 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1cccc(C)c1OCc1ccc(C(=O)Nc2nc(C)c(C)s2)o1.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is ZQZCMBTWLSSDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-6-5-7-12(2)17(11)23-10-15-8-9-16(24-15)18(22)21-19-20-13(3)14(4)25-19/h5-9H,10H2,1-4H3,(H,20,21,22).
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 19446949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).