N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C14H16N2O2S2 — CID 47127745

IUPACN-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2sc(=S)[nH]c2C)cc1
InChIInChI=1S/C14H16N2O2S2/c1-3-18-11-6-4-10(5-7-11)16-13(17)8-12-9(2)15-14(19)20-12/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyCUWVVUFPWRSYLT-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.69
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 47127745) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID47127745
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2sc(=S)[nH]c2C)cc1
InChIInChI=1S/C14H16N2O2S2/c1-3-18-11-6-4-10(5-7-11)16-13(17)8-12-9(2)15-14(19)20-12/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyCUWVVUFPWRSYLT-UHFFFAOYSA-N
XLogP3.69
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
2-[2-(aminomethyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 81312144
(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83193372
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988
N-[4-(4-ethoxyphenoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60615952

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 47127745) is N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCOc1ccc(NC(=O)Cc2sc(=S)[nH]c2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is CUWVVUFPWRSYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-3-18-11-6-4-10(5-7-11)16-13(17)8-12-9(2)15-14(19)20-12/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 47127745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).