ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate

C21H23N3O3S2 — CID 1153272

IUPACethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C)n1
InChIInChI=1S/C21H23N3O3S2/c1-5-27-19(26)9-16-10-29-21(22-16)24-18(25)11-28-20-14(4)7-15-6-12(2)13(3)8-17(15)23-20/h6-8,10H,5,9,11H2,1-4H3,(H,22,24,25)
InChIKeyBVJBWBQESHEGQW-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.45
Rot. Bonds7

About ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1153272) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID1153272
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Nameethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C)n1
InChIInChI=1S/C21H23N3O3S2/c1-5-27-19(26)9-16-10-29-21(22-16)24-18(25)11-28-20-14(4)7-15-6-12(2)13(3)8-17(15)23-20/h6-8,10H,5,9,11H2,1-4H3,(H,22,24,25)
InChIKeyBVJBWBQESHEGQW-UHFFFAOYSA-N
XLogP4.45
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate 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

ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3167475
ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 6463655
ethyl 2-[2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2382096
ethyl 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2348497
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[[2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3189376
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3672751
ethyl 2-[2-[[2-[[4-methyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19717575
ethyl 2-[2-[[2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19716798
ethyl 2-[2-[[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 655853
ethyl 2-[2-[[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7672383

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate (CID 1153272) is ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C)n1.
What is the InChIKey of ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is BVJBWBQESHEGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-5-27-19(26)9-16-10-29-21(22-16)24-18(25)11-28-20-14(4)7-15-6-12(2)13(3)8-17(15)23-20/h6-8,10H,5,9,11H2,1-4H3,(H,22,24,25).
What are the key properties of ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 429.57 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1153272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).