methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate

C16H18N2O3S2 — CID 16544084

IUPACmethyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
SMILESCCc1ccc(-c2csc(NC(=O)CSCC(=O)OC)n2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-3-11-4-6-12(7-5-11)13-8-23-16(17-13)18-14(19)9-22-10-15(20)21-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeySLUPAGHZQPLEIO-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.22
Rot. Bonds7

About methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate

methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate (PubChem CID 16544084) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
PubChem CID16544084
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Namemethyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
SMILESCCc1ccc(-c2csc(NC(=O)CSCC(=O)OC)n2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-3-11-4-6-12(7-5-11)13-8-23-16(17-13)18-14(19)9-22-10-15(20)21-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeySLUPAGHZQPLEIO-UHFFFAOYSA-N
XLogP3.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16547912
2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41059378
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4644165
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7918142
ethyl 4-[2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 2334522
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015338
[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015337
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate?
The IUPAC name of methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate (CID 16544084) is methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate?
The canonical SMILES for methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate is CCc1ccc(-c2csc(NC(=O)CSCC(=O)OC)n2)cc1.
What is the InChIKey of methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate?
The InChIKey is SLUPAGHZQPLEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-3-11-4-6-12(7-5-11)13-8-23-16(17-13)18-14(19)9-22-10-15(20)21-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate?
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate has a molecular weight of 350.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 16544084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).