2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide

C19H21N3O4S — CID 91509895

IUPAC2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(Cn2c(O)c(C)c(C)c2OCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H21N3O4S/c1-12-13(2)18(26-11-16(23)21-19-20-8-9-27-19)22(17(12)24)10-14-4-6-15(25-3)7-5-14/h4-9,24H,10-11H2,1-3H3,(H,20,21,23)
InChIKeyFDHDTDJTBJAIPX-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.34
Rot. Bonds7

About 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide

2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 91509895) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide
PubChem CID91509895
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(Cn2c(O)c(C)c(C)c2OCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H21N3O4S/c1-12-13(2)18(26-11-16(23)21-19-20-8-9-27-19)22(17(12)24)10-14-4-6-15(25-3)7-5-14/h4-9,24H,10-11H2,1-3H3,(H,20,21,23)
InChIKeyFDHDTDJTBJAIPX-UHFFFAOYSA-N
XLogP3.34
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1085386
N-ethyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814252
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
2-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 9043782
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 7660100
N-[(1S)-1-[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 92993309
2-(4-methoxyphenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1394635
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide (CID 91509895) is 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(Cn2c(O)c(C)c(C)c2OCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FDHDTDJTBJAIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-13(2)18(26-11-16(23)21-19-20-8-9-27-19)22(17(12)24)10-14-4-6-15(25-3)7-5-14/h4-9,24H,10-11H2,1-3H3,(H,20,21,23).
What are the key properties of 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide?
2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrrol-2-yl]oxy-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 91509895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).