N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C18H19N3O3S — CID 53369144

IUPACN-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(-n2cccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H19N3O3S/c1-23-12-9-19-17(22)16-15(13-5-7-14(24-2)8-6-13)20-18(25-16)21-10-3-4-11-21/h3-8,10-11H,9,12H2,1-2H3,(H,19,22)
InChIKeyLOQVPSQXYWNTTP-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.99
Rot. Bonds7

About N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53369144) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53369144
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(-n2cccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H19N3O3S/c1-23-12-9-19-17(22)16-15(13-5-7-14(24-2)8-6-13)20-18(25-16)21-10-3-4-11-21/h3-8,10-11H,9,12H2,1-2H3,(H,19,22)
InChIKeyLOQVPSQXYWNTTP-UHFFFAOYSA-N
XLogP2.99
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10218138
4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 52898221
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 124848878
N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22577899
N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45495678
N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 29133126
4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 20889831
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42581776
4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
CID 100747726
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 95092727
N-(2-methoxyethyl)-2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906198

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53369144) is N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is COCCNC(=O)c1sc(-n2cccc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LOQVPSQXYWNTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-23-12-9-19-17(22)16-15(13-5-7-14(24-2)8-6-13)20-18(25-16)21-10-3-4-11-21/h3-8,10-11H,9,12H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53369144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).