N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

C22H24N4O2S2 — CID 55677053

IUPACN-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc(CC(=O)Nc2ccccc2CN2CCCC2)cs1
InChIInChI=1S/C22H24N4O2S2/c27-20(24-19-8-2-1-6-16(19)14-26-9-3-4-10-26)12-17-15-30-22(23-17)25-21(28)13-18-7-5-11-29-18/h1-2,5-8,11,15H,3-4,9-10,12-14H2,(H,24,27)(H,23,25,28)
InChIKeyHMOQFPJSWJULLW-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.16
Rot. Bonds8

About N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 55677053) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID55677053
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC NameN-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc(CC(=O)Nc2ccccc2CN2CCCC2)cs1
InChIInChI=1S/C22H24N4O2S2/c27-20(24-19-8-2-1-6-16(19)14-26-9-3-4-10-26)12-17-15-30-22(23-17)25-21(28)13-18-7-5-11-29-18/h1-2,5-8,11,15H,3-4,9-10,12-14H2,(H,24,27)(H,23,25,28)
InChIKeyHMOQFPJSWJULLW-UHFFFAOYSA-N
XLogP4.16
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 55676989
N-[2-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]cyclohexanecarboxamide
CID 55805860
N-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55648397
N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 39905915
N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46699089
N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55912219
N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 119489535
N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38770657
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 56586617
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30547818
N-[4-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55650603
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 55677053) is N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nc(CC(=O)Nc2ccccc2CN2CCCC2)cs1.
What is the InChIKey of N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is HMOQFPJSWJULLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c27-20(24-19-8-2-1-6-16(19)14-26-9-3-4-10-26)12-17-15-30-22(23-17)25-21(28)13-18-7-5-11-29-18/h1-2,5-8,11,15H,3-4,9-10,12-14H2,(H,24,27)(H,23,25,28).
What are the key properties of N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 440.59 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 55677053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).