N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

C19H19N3O3S2 — CID 55886988

IUPACN-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1N(C)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1
InChIInChI=1S/C19H19N3O3S2/c1-22(15-7-3-4-8-16(15)25-2)18(24)10-13-12-27-19(20-13)21-17(23)11-14-6-5-9-26-14/h3-9,12H,10-11H2,1-2H3,(H,20,21,23)
InChIKeyZAIGTZUWSAMVEF-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.60
Rot. Bonds7

About N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 55886988) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID55886988
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1N(C)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1
InChIInChI=1S/C19H19N3O3S2/c1-22(15-7-3-4-8-16(15)25-2)18(24)10-13-12-27-19(20-13)21-17(23)11-14-6-5-9-26-14/h3-9,12H,10-11H2,1-2H3,(H,20,21,23)
InChIKeyZAIGTZUWSAMVEF-UHFFFAOYSA-N
XLogP3.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55888004
N-[4-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55796754
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55912219
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
N-[4-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55650603
3,4-dimethoxy-N-[4-[2-(N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41226185
N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38709121
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 7336987
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 56586617

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 55886988) is N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is COc1ccccc1N(C)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1.
What is the InChIKey of N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is ZAIGTZUWSAMVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-22(15-7-3-4-8-16(15)25-2)18(24)10-13-12-27-19(20-13)21-17(23)11-14-6-5-9-26-14/h3-9,12H,10-11H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 401.51 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 55886988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).