N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

C23H20N2O3S — CID 43854946

IUPACN-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(N(Cc2ccco2)C(=O)c2nc(C)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-16-24-21(22(29-16)17-7-4-3-5-8-17)23(26)25(15-20-9-6-14-28-20)18-10-12-19(27-2)13-11-18/h3-14H,15H2,1-2H3
InChIKeyLZWVASJBSDXJRL-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.57
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 43854946) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID43854946
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(N(Cc2ccco2)C(=O)c2nc(C)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-16-24-21(22(29-16)17-7-4-3-5-8-17)23(26)25(15-20-9-6-14-28-20)18-10-12-19(27-2)13-11-18/h3-14H,15H2,1-2H3
InChIKeyLZWVASJBSDXJRL-UHFFFAOYSA-N
XLogP5.57
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 43854946) is N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is COc1ccc(N(Cc2ccco2)C(=O)c2nc(C)sc2-c2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is LZWVASJBSDXJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-16-24-21(22(29-16)17-7-4-3-5-8-17)23(26)25(15-20-9-6-14-28-20)18-10-12-19(27-2)13-11-18/h3-14H,15H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43854946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).