ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate

C20H25N3O4S — CID 17309220

IUPACethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)C(CC)CC)cc2)n1
InChIInChI=1S/C20H25N3O4S/c1-4-13(5-2)18(25)21-15-9-7-14(8-10-15)19(26)23-20-22-16(12-28-20)11-17(24)27-6-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyJLLBEWZASCEEDB-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.88
Rot. Bonds9

About ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 17309220) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID17309220
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Nameethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)C(CC)CC)cc2)n1
InChIInChI=1S/C20H25N3O4S/c1-4-13(5-2)18(25)21-15-9-7-14(8-10-15)19(26)23-20-22-16(12-28-20)11-17(24)27-6-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyJLLBEWZASCEEDB-UHFFFAOYSA-N
XLogP3.88
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]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-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879
ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 71704945
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-[[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 121094373
ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 60572662
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 26246877
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 17309220) is ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)C(CC)CC)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is JLLBEWZASCEEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-13(5-2)18(25)21-15-9-7-14(8-10-15)19(26)23-20-22-16(12-28-20)11-17(24)27-6-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,25)(H,22,23,26).
What are the key properties of ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 403.50 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 17309220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).