N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide

C20H23N5O2S2 — CID 42985049

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
SMILESCCN(CC)C(CNC(=O)CSc1nnc2sc3ccccc3n12)c1ccco1
InChIInChI=1S/C20H23N5O2S2/c1-3-24(4-2)15(16-9-7-11-27-16)12-21-18(26)13-28-19-22-23-20-25(19)14-8-5-6-10-17(14)29-20/h5-11,15H,3-4,12-13H2,1-2H3,(H,21,26)
InChIKeyKVWDHSZCLMKLOX-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.83
Rot. Bonds9

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide (PubChem CID 42985049) has the molecular formula C20H23N5O2S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
PubChem CID42985049
Molecular FormulaC20H23N5O2S2
Molecular Weight429.57 g/mol
Exact Mass429.13
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
SMILESCCN(CC)C(CNC(=O)CSc1nnc2sc3ccccc3n12)c1ccco1
InChIInChI=1S/C20H23N5O2S2/c1-3-24(4-2)15(16-9-7-11-27-16)12-21-18(26)13-28-19-22-23-20-25(19)14-8-5-6-10-17(14)29-20/h5-11,15H,3-4,12-13H2,1-2H3,(H,21,26)
InChIKeyKVWDHSZCLMKLOX-UHFFFAOYSA-N
XLogP3.83
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide 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

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 42985054
N-butyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 2612662
N-methyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 35717887
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetohydrazide
CID 71575518
N-(3-methoxypropyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 35717885
N-(methylcarbamoyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 736625
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 55462976
N-cyclopropyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 2612839
N-benzyl-N-ethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 18073934
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 42985063
methyl 4-methyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]pentanoate
CID 78118258
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 16599387

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide (CID 42985049) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide is CCN(CC)C(CNC(=O)CSc1nnc2sc3ccccc3n12)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The InChIKey is KVWDHSZCLMKLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S2/c1-3-24(4-2)15(16-9-7-11-27-16)12-21-18(26)13-28-19-22-23-20-25(19)14-8-5-6-10-17(14)29-20/h5-11,15H,3-4,12-13H2,1-2H3,(H,21,26).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide has a molecular weight of 429.57 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide is sourced from PubChem (CID 42985049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).