N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C18H16N2O3S — CID 84554690

IUPACN-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3ccccc3O)cs2)cc1
InChIInChI=1S/C18H16N2O3S/c1-23-13-8-6-12(7-9-13)10-17-19-15(11-24-17)18(22)20-14-4-2-3-5-16(14)21/h2-9,11,21H,10H2,1H3,(H,20,22)
InChIKeyHKHOJKIAOGYQJH-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.70
Rot. Bonds5

About N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 84554690) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID84554690
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3ccccc3O)cs2)cc1
InChIInChI=1S/C18H16N2O3S/c1-23-13-8-6-12(7-9-13)10-17-19-15(11-24-17)18(22)20-14-4-2-3-5-16(14)21/h2-9,11,21H,10H2,1H3,(H,20,22)
InChIKeyHKHOJKIAOGYQJH-UHFFFAOYSA-N
XLogP3.70
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554707
N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554668
2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60561856
2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 84556750
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84556753
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoic acid
CID 84556759
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 38764761
1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089349
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 84554690) is N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(Cc2nc(C(=O)Nc3ccccc3O)cs2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HKHOJKIAOGYQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-13-8-6-12(7-9-13)10-17-19-15(11-24-17)18(22)20-14-4-2-3-5-16(14)21/h2-9,11,21H,10H2,1H3,(H,20,22).
What are the key properties of N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84554690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).