N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide

C14H18N2O2S2 — CID 110221996

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(Cc1ccsc1)c1nc(C)c(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-9-10(2)20-14(15-9)12(16-13(17)7-18-3)6-11-4-5-19-8-11/h4-5,8,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyLYUUWMKINVEGLD-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.87
Rot. Bonds6

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide (PubChem CID 110221996) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide
PubChem CID110221996
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(Cc1ccsc1)c1nc(C)c(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-9-10(2)20-14(15-9)12(16-13(17)7-18-3)6-11-4-5-19-8-11/h4-5,8,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyLYUUWMKINVEGLD-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1,2-oxazol-5-yl)propanamide
CID 92597569
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 110222036
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide
CID 46955492
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110222003
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 92589855
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 110222012
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide
CID 95802527
3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide
CID 92597594
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide
CID 92597605
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 92597615
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92597648
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine
CID 46966617

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide (CID 110221996) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide is COCC(=O)NC(Cc1ccsc1)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide?
The InChIKey is LYUUWMKINVEGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-9-10(2)20-14(15-9)12(16-13(17)7-18-3)6-11-4-5-19-8-11/h4-5,8,12H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide has a molecular weight of 310.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide is sourced from PubChem (CID 110221996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).