N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C23H21N3O3S2 — CID 60532491

IUPACN-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NCc1ccc(OCCOc2ccccc2)nc1
InChIInChI=1S/C23H21N3O3S2/c27-21(13-18-16-31-23(26-18)20-7-4-12-30-20)24-14-17-8-9-22(25-15-17)29-11-10-28-19-5-2-1-3-6-19/h1-9,12,15-16H,10-11,13-14H2,(H,24,27)
InChIKeyGRLCTCYMDZVZSB-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.58
Rot. Bonds10

About N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 60532491) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID60532491
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC NameN-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NCc1ccc(OCCOc2ccccc2)nc1
InChIInChI=1S/C23H21N3O3S2/c27-21(13-18-16-31-23(26-18)20-7-4-12-30-20)24-14-17-8-9-22(25-15-17)29-11-10-28-19-5-2-1-3-6-19/h1-9,12,15-16H,10-11,13-14H2,(H,24,27)
InChIKeyGRLCTCYMDZVZSB-UHFFFAOYSA-N
XLogP4.58
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134021506
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24516052
N-(6-methoxy-3-pyridinyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197968
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55662555
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505093
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27775127
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 87026592
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 55800950
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55801899
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 60532491) is N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)NCc1ccc(OCCOc2ccccc2)nc1.
What is the InChIKey of N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GRLCTCYMDZVZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c27-21(13-18-16-31-23(26-18)20-7-4-12-30-20)24-14-17-8-9-22(25-15-17)29-11-10-28-19-5-2-1-3-6-19/h1-9,12,15-16H,10-11,13-14H2,(H,24,27).
What are the key properties of N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 451.57 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 60532491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).