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

C16H17N5O2S2 — CID 3236772

IUPAC2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C16H17N5O2S2/c1-3-23-13-6-4-12(5-7-13)21-9-8-17-16(21)24-10-14(22)18-15-20-19-11(2)25-15/h4-9H,3,10H2,1-2H3,(H,18,20,22)
InChIKeyLNIUWIDFELLGJA-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.16
Rot. Bonds7

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

2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3236772) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3236772
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C16H17N5O2S2/c1-3-23-13-6-4-12(5-7-13)21-9-8-17-16(21)24-10-14(22)18-15-20-19-11(2)25-15/h4-9H,3,10H2,1-2H3,(H,18,20,22)
InChIKeyLNIUWIDFELLGJA-UHFFFAOYSA-N
XLogP3.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 866705
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
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-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 3241796
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3236772) is 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is LNIUWIDFELLGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-3-23-13-6-4-12(5-7-13)21-9-8-17-16(21)24-10-14(22)18-15-20-19-11(2)25-15/h4-9H,3,10H2,1-2H3,(H,18,20,22).
What are the key properties of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.16, 7 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-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3236772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).