ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate

C19H22ClN3O4S — CID 24598315

IUPACethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)n1
InChIInChI=1S/C19H22ClN3O4S/c1-4-27-15(24)9-12-10-28-19(21-12)23-18(26)16(11(2)3)22-17(25)13-7-5-6-8-14(13)20/h5-8,10-11,16H,4,9H2,1-3H3,(H,22,25)(H,21,23,26)
InChIKeyYIWAOQDWFOQQAZ-UHFFFAOYSA-N
MW423.92 g/mol
LogP3.30
Rot. Bonds8

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

ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 24598315) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID24598315
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC Nameethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)n1
InChIInChI=1S/C19H22ClN3O4S/c1-4-27-15(24)9-12-10-28-19(21-12)23-18(26)16(11(2)3)22-17(25)13-7-5-6-8-14(13)20/h5-8,10-11,16H,4,9H2,1-3H3,(H,22,25)(H,21,23,26)
InChIKeyYIWAOQDWFOQQAZ-UHFFFAOYSA-N
XLogP3.30
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 26246877
ethyl 2-[2-[[2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 16962082
2-chloro-N-[(2S)-3-methyl-1-oxo-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]butan-2-yl]benzamide
CID 9108335
ethyl 2-[2-[2-(2,3-dichlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 55686119
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574170
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1080646
ethyl 2-[2-(2-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23801603
ethyl 2-[2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1180864

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate (CID 24598315) is ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is YIWAOQDWFOQQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-4-27-15(24)9-12-10-28-19(21-12)23-18(26)16(11(2)3)22-17(25)13-7-5-6-8-14(13)20/h5-8,10-11,16H,4,9H2,1-3H3,(H,22,25)(H,21,23,26).
What are the key properties of ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 423.92 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 24598315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).