N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide

C19H21N3O2S — CID 110383889

IUPACN-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3csc(C)n3)o2)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-22(5-2)15-8-6-14(7-9-15)21-19(23)18-11-10-17(24-18)16-12-25-13(3)20-16/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyVMCLUCXEFSGRNR-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.81
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide

N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (PubChem CID 110383889) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
PubChem CID110383889
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3csc(C)n3)o2)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-22(5-2)15-8-6-14(7-9-15)21-19(23)18-11-10-17(24-18)16-12-25-13(3)20-16/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyVMCLUCXEFSGRNR-UHFFFAOYSA-N
XLogP4.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383844
N-(4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383858
N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383862
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383906
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
N-(2-bromophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383894
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383767
N-cyclopentyl-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383761
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (CID 110383889) is N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(-c3csc(C)n3)o2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The InChIKey is VMCLUCXEFSGRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-22(5-2)15-8-6-14(7-9-15)21-19(23)18-11-10-17(24-18)16-12-25-13(3)20-16/h6-12H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 110383889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).