N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole

C33H57N5O4S4 — CID 157137903

IUPACN-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole
SMILESCCCC(=O)CCCCCCC(=O)NCC.CCNC(=O)CCSSCCC(=O)NCC.Cc1nc(CCc2csc(C)n2)cs1
InChIInChI=1S/C13H25NO2.C10H20N2O2S2.C10H12N2S2/c1-3-9-12(15)10-7-5-6-8-11-13(16)14-4-2;1-3-11-9(13)5-7-15-16-8-6-10(14)12-4-2;1-7-11-9(5-13-7)3-4-10-6-14-8(2)12-10/h3-11H2,1-2H3,(H,14,16);3-8H2,1-2H3,(H,11,13)(H,12,14);5-6H,3-4H2,1-2H3
InChIKeyAJVPEGQAHIPSMS-UHFFFAOYSA-N
MW716.12 g/mol
LogP7.25
Rot. Bonds22

About N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole

N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole (PubChem CID 157137903) has the molecular formula C33H57N5O4S4 and a molecular weight of 716.12 g/mol. Its IUPAC name is N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound NameN-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole
PubChem CID157137903
Molecular FormulaC33H57N5O4S4
Molecular Weight716.12 g/mol
Exact Mass715.33
IUPAC NameN-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole
SMILESCCCC(=O)CCCCCCC(=O)NCC.CCNC(=O)CCSSCCC(=O)NCC.Cc1nc(CCc2csc(C)n2)cs1
InChIInChI=1S/C13H25NO2.C10H20N2O2S2.C10H12N2S2/c1-3-9-12(15)10-7-5-6-8-11-13(16)14-4-2;1-3-11-9(13)5-7-15-16-8-6-10(14)12-4-2;1-7-11-9(5-13-7)3-4-10-6-14-8(2)12-10/h3-11H2,1-2H3,(H,14,16);3-8H2,1-2H3,(H,11,13)(H,12,14);5-6H,3-4H2,1-2H3
InChIKeyAJVPEGQAHIPSMS-UHFFFAOYSA-N
XLogP7.25
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.12
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acetyl]amino]-N-[2-[2-[2-[2-[[[4-[[2-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]acetyl]amino]-3-oxobutanoyl]amino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]-2-oxoethyl]-3-oxopentanamide
CID 167508998
5-[(2-Methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
CID 104687195
1-(2-Methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560953
N-({rel-(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]-2-pyrrolidinyl}methyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 165423397

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole?
The IUPAC name of N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole (CID 157137903) is N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole?
The canonical SMILES for N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole is CCCC(=O)CCCCCCC(=O)NCC.CCNC(=O)CCSSCCC(=O)NCC.Cc1nc(CCc2csc(C)n2)cs1.
What is the InChIKey of N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole?
The InChIKey is AJVPEGQAHIPSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.C10H20N2O2S2.C10H12N2S2/c1-3-9-12(15)10-7-5-6-8-11-13(16)14-4-2;1-3-11-9(13)5-7-15-16-8-6-10(14)12-4-2;1-7-11-9(5-13-7)3-4-10-6-14-8(2)12-10/h3-11H2,1-2H3,(H,14,16);3-8H2,1-2H3,(H,11,13)(H,12,14);5-6H,3-4H2,1-2H3.
What are the key properties of N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole?
N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole has a molecular weight of 716.12 g/mol, XLogP of 7.25, 22 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide;N-ethyl-8-oxoundecanamide;2-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 157137903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).