N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide

C24H20N2O3S — CID 83285381

IUPACN-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C24H20N2O3S/c1-28-21-9-5-8-19(14-21)25-23(27)22-16-30-24(26-22)18-10-12-20(13-11-18)29-15-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyLPNNPWDHJCBLLN-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.65
Rot. Bonds7

About N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide

N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 83285381) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID83285381
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC NameN-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C24H20N2O3S/c1-28-21-9-5-8-19(14-21)25-23(27)22-16-30-24(26-22)18-10-12-20(13-11-18)29-15-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyLPNNPWDHJCBLLN-UHFFFAOYSA-N
XLogP5.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066553
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46065798
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 42865866
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46065831
2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 83285381) is N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)cc3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LPNNPWDHJCBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-28-21-9-5-8-19(14-21)25-23(27)22-16-30-24(26-22)18-10-12-20(13-11-18)29-15-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,25,27).
What are the key properties of N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83285381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).