N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

C22H24N4O2S — CID 78823033

IUPACN-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(CCC#N)Cc2ccco2)cs1
InChIInChI=1S/C22H24N4O2S/c1-3-18-8-4-5-10-21(18)26(17(2)27)22-24-19(16-29-22)14-25(12-7-11-23)15-20-9-6-13-28-20/h4-6,8-10,13,16H,3,7,12,14-15H2,1-2H3
InChIKeyMCXMHKXSBVPGDV-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.90
Rot. Bonds9

About N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 78823033) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
PubChem CID78823033
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(CCC#N)Cc2ccco2)cs1
InChIInChI=1S/C22H24N4O2S/c1-3-18-8-4-5-10-21(18)26(17(2)27)22-24-19(16-29-22)14-25(12-7-11-23)15-20-9-6-13-28-20/h4-6,8-10,13,16H,3,7,12,14-15H2,1-2H3
InChIKeyMCXMHKXSBVPGDV-UHFFFAOYSA-N
XLogP4.90
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide with MolForge

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Related Compounds

[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
CID 7813926
N-[4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78817704
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
N-(2-ethylphenyl)-N-[4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78815757
N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78843645
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate
CID 8969978
N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78818770
N-[4-[[4-(4-cyanophenyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 38902175
N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 112780766
N-[4-[[benzyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78823715
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351
N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 8788294

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (CID 78823033) is N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1N(C(C)=O)c1nc(CN(CCC#N)Cc2ccco2)cs1.
What is the InChIKey of N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is MCXMHKXSBVPGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-3-18-8-4-5-10-21(18)26(17(2)27)22-24-19(16-29-22)14-25(12-7-11-23)15-20-9-6-13-28-20/h4-6,8-10,13,16H,3,7,12,14-15H2,1-2H3.
What are the key properties of N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 408.53 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 78823033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).