N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

C16H20Cl2N4O3S — CID 119419612

IUPACN-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCOc1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1N.Cl.Cl
InChIInChI=1S/C16H18N4O3S.2ClH/c1-23-13-5-4-10(7-12(13)17)18-14(21)8-11-9-24-16(19-11)20-6-2-3-15(20)22;;/h4-5,7,9H,2-3,6,8,17H2,1H3,(H,18,21);2*1H
InChIKeySSKPESULEWHFQF-UHFFFAOYSA-N
MW419.33 g/mol
LogP2.89
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119419612) has the molecular formula C16H20Cl2N4O3S and a molecular weight of 419.33 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119419612
Molecular FormulaC16H20Cl2N4O3S
Molecular Weight419.33 g/mol
Exact Mass418.06
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCOc1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1N.Cl.Cl
InChIInChI=1S/C16H18N4O3S.2ClH/c1-23-13-5-4-10(7-12(13)17)18-14(21)8-11-9-24-16(19-11)20-6-2-3-15(20)22;;/h4-5,7,9H,2-3,6,8,17H2,1H3,(H,18,21);2*1H
InChIKeySSKPESULEWHFQF-UHFFFAOYSA-N
XLogP2.89
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27825242
N-(2-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27824972
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9162811
N-(3-methylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9072651
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 51213356
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667695
5-chloro-2-methoxy-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 9278566
4-ethoxy-3-methoxy-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 9151613
[2-(3-methylanilino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667687
methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 18200073
N-(2,5-dibromophenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39166455
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24600255

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119419612) is N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is COc1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1N.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is SSKPESULEWHFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S.2ClH/c1-23-13-5-4-10(7-12(13)17)18-14(21)8-11-9-24-16(19-11)20-6-2-3-15(20)22;;/h4-5,7,9H,2-3,6,8,17H2,1H3,(H,18,21);2*1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 419.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119419612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).