2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C17H19N5O2S2 — CID 3237485

IUPAC2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C17H19N5O2S2/c1-3-15-20-21-16(26-15)19-14(23)11-25-17-18-9-10-22(17)12-5-7-13(8-6-12)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,21,23)
InChIKeyFZNILXFGXFVZOI-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.42
Rot. Bonds8

About 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3237485) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3237485
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC Name2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C17H19N5O2S2/c1-3-15-20-21-16(26-15)19-14(23)11-25-17-18-9-10-22(17)12-5-7-13(8-6-12)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,21,23)
InChIKeyFZNILXFGXFVZOI-UHFFFAOYSA-N
XLogP3.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-Cyclohexyl-2-{5-[2-(4-ethoxy-phenylamino)-thiazol-4-ylmethyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
CID 1165864
2-{5-[2-(4-Ethoxy-phenylamino)-thiazol-4-ylmethyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N,N-diethyl-acetamide
CID 1165874
2-[4-(4-Methoxy-phenyl)-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 1373594
N-(4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1949988
2-({5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}thio)-N-1,3-thiazol-2-ylpropanamide
CID 2961202
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3236772
N-(4-ethoxyphenyl)-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)acetamide
CID 3239850
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
CID 4713761
2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 5307872
N-(4-ethoxyphenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5308194
2-[[4-(4-methoxyphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 5309904
4-(2,4-dimethylimidazol-1-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 16086300

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3237485) is 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(CC)s2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FZNILXFGXFVZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-3-15-20-21-16(26-15)19-14(23)11-25-17-18-9-10-22(17)12-5-7-13(8-6-12)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,21,23).
What are the key properties of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 389.51 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3237485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).