3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide

C17H17N3O2S — CID 3242690

IUPAC3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2nccs2)n2cccc2)cc1
InChIInChI=1S/C17H17N3O2S/c1-22-14-6-4-13(5-7-14)15(20-9-2-3-10-20)12-16(21)19-17-18-8-11-23-17/h2-11,15H,12H2,1H3,(H,18,19,21)
InChIKeyRNYXEDXOIPJGGW-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.57
Rot. Bonds6

About 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide

3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3242690) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3242690
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2nccs2)n2cccc2)cc1
InChIInChI=1S/C17H17N3O2S/c1-22-14-6-4-13(5-7-14)15(20-9-2-3-10-20)12-16(21)19-17-18-8-11-23-17/h2-11,15H,12H2,1H3,(H,18,19,21)
InChIKeyRNYXEDXOIPJGGW-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
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N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
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2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
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4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
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2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24829746
N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832008
2-(3-methoxyphenyl)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 60097724
3-(4-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1068314
2-(4-methoxyphenyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 2161245
2-(3-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2441451
N'-(2-fluorophenyl)-N'-[1-(4-methoxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide (CID 3242690) is 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide is COc1ccc(C(CC(=O)Nc2nccs2)n2cccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RNYXEDXOIPJGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-14-6-4-13(5-7-14)15(20-9-2-3-10-20)12-16(21)19-17-18-8-11-23-17/h2-11,15H,12H2,1H3,(H,18,19,21).
What are the key properties of 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3242690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).