N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

C23H20N2O3S — CID 46065753

IUPACN-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(COc2ccc(-c3nc(C(=O)NCc4ccco4)cs3)cc2)c1
InChIInChI=1S/C23H20N2O3S/c1-16-4-2-5-17(12-16)14-28-19-9-7-18(8-10-19)23-25-21(15-29-23)22(26)24-13-20-6-3-11-27-20/h2-12,15H,13-14H2,1H3,(H,24,26)
InChIKeySYUKSEKQZPZBSJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.22
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46065753) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46065753
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(COc2ccc(-c3nc(C(=O)NCc4ccco4)cs3)cc2)c1
InChIInChI=1S/C23H20N2O3S/c1-16-4-2-5-17(12-16)14-28-19-9-7-18(8-10-19)23-25-21(15-29-23)22(26)24-13-20-6-3-11-27-20/h2-12,15H,13-14H2,1H3,(H,24,26)
InChIKeySYUKSEKQZPZBSJ-UHFFFAOYSA-N
XLogP5.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42865798
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46434002
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066774
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
2-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 55616686
2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42866141
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066056
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24712458
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-[4-[(3-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46067877

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 46065753) is N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is Cc1cccc(COc2ccc(-c3nc(C(=O)NCc4ccco4)cs3)cc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SYUKSEKQZPZBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-16-4-2-5-17(12-16)14-28-19-9-7-18(8-10-19)23-25-21(15-29-23)22(26)24-13-20-6-3-11-27-20/h2-12,15H,13-14H2,1H3,(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).