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

C18H18N2O4S — CID 110383812

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3csc(C)n3)o2)cc1OC
InChIInChI=1S/C18H18N2O4S/c1-11-20-13(10-25-11)14-6-7-16(24-14)18(21)19-9-12-4-5-15(22-2)17(8-12)23-3/h4-8,10H,9H2,1-3H3,(H,19,21)
InChIKeyCZDDDHUSFICHAP-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.66
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (PubChem CID 110383812) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
PubChem CID110383812
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3csc(C)n3)o2)cc1OC
InChIInChI=1S/C18H18N2O4S/c1-11-20-13(10-25-11)14-6-7-16(24-14)18(21)19-9-12-4-5-15(22-2)17(8-12)23-3/h4-8,10H,9H2,1-3H3,(H,19,21)
InChIKeyCZDDDHUSFICHAP-UHFFFAOYSA-N
XLogP3.66
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383767
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158355
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24525129
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide
CID 21047558
2-(1-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3757058
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 40707333
N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383844
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methoxyethyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3759435

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (CID 110383812) is N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3csc(C)n3)o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The InChIKey is CZDDDHUSFICHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-20-13(10-25-11)14-6-7-16(24-14)18(21)19-9-12-4-5-15(22-2)17(8-12)23-3/h4-8,10H,9H2,1-3H3,(H,19,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 110383812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).