N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide

C18H18N2O2S2 — CID 110317395

IUPACN-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1-c1nc(CCNC(=O)Cc2cccs2)cs1
InChIInChI=1S/C18H18N2O2S2/c1-22-16-7-3-2-6-15(16)18-20-13(12-24-18)8-9-19-17(21)11-14-5-4-10-23-14/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyHCNWDUGHYQQSKG-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.78
Rot. Bonds7

About N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide

N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110317395) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID110317395
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1-c1nc(CCNC(=O)Cc2cccs2)cs1
InChIInChI=1S/C18H18N2O2S2/c1-22-16-7-3-2-6-15(16)18-20-13(12-24-18)8-9-19-17(21)11-14-5-4-10-23-14/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyHCNWDUGHYQQSKG-UHFFFAOYSA-N
XLogP3.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110317283
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110317408
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110673689
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16591047
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
N-cyclopropyl-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333079
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 71802085
(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 110670963

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide (CID 110317395) is N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide is COc1ccccc1-c1nc(CCNC(=O)Cc2cccs2)cs1.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is HCNWDUGHYQQSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-22-16-7-3-2-6-15(16)18-20-13(12-24-18)8-9-19-17(21)11-14-5-4-10-23-14/h2-7,10,12H,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 358.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110317395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).