N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H30N6O2S2 — CID 1165864

IUPACN-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NC4CCCCC4)n3C)cs2)cc1
InChIInChI=1S/C23H30N6O2S2/c1-3-31-19-11-9-17(10-12-19)25-22-26-18(14-32-22)13-20-27-28-23(29(20)2)33-15-21(30)24-16-7-5-4-6-8-16/h9-12,14,16H,3-8,13,15H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyGBHATUNTCNFHBC-UHFFFAOYSA-N
MW486.67 g/mol
LogP4.55
Rot. Bonds10

About N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 1165864) has the molecular formula C23H30N6O2S2 and a molecular weight of 486.67 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID1165864
Molecular FormulaC23H30N6O2S2
Molecular Weight486.67 g/mol
Exact Mass486.19
IUPAC NameN-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NC4CCCCC4)n3C)cs2)cc1
InChIInChI=1S/C23H30N6O2S2/c1-3-31-19-11-9-17(10-12-19)25-22-26-18(14-32-22)13-20-27-28-23(29(20)2)33-15-21(30)24-16-7-5-4-6-8-16/h9-12,14,16H,3-8,13,15H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyGBHATUNTCNFHBC-UHFFFAOYSA-N
XLogP4.55
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.67
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-{5-[2-(4-Ethoxy-phenylamino)-thiazol-4-ylmethyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 648493
2-{5-[(4-Methoxy-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1136046
2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 1152813
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
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-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4969411
6-((4-(4-methoxyphenyl)-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione
CID 5201818
N-Cyclohexyl-2-{[4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-YL)methyl]-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
CID 5307607

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 1165864) is N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NC4CCCCC4)n3C)cs2)cc1.
What is the InChIKey of N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is GBHATUNTCNFHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S2/c1-3-31-19-11-9-17(10-12-19)25-22-26-18(14-32-22)13-20-27-28-23(29(20)2)33-15-21(30)24-16-7-5-4-6-8-16/h9-12,14,16H,3-8,13,15H2,1-2H3,(H,24,30)(H,25,26).
What are the key properties of N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 486.67 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1165864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).