ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate

C14H17ClN4O3S — CID 19570396

IUPACethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)Cn2cc(Cl)cn2)n1
InChIInChI=1S/C14H17ClN4O3S/c1-3-22-12(20)4-11-8-23-14(17-11)18-13(21)9(2)6-19-7-10(15)5-16-19/h5,7-9H,3-4,6H2,1-2H3,(H,17,18,21)
InChIKeyMJGCPXBIYCIFIJ-UHFFFAOYSA-N
MW356.84 g/mol
LogP2.37
Rot. Bonds7

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

ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19570396) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19570396
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC Nameethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)Cn2cc(Cl)cn2)n1
InChIInChI=1S/C14H17ClN4O3S/c1-3-22-12(20)4-11-8-23-14(17-11)18-13(21)9(2)6-19-7-10(15)5-16-19/h5,7-9H,3-4,6H2,1-2H3,(H,17,18,21)
InChIKeyMJGCPXBIYCIFIJ-UHFFFAOYSA-N
XLogP2.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]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-(4-methylpyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 19534411
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 119672769
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24598315
ethyl 2-[2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1080646
ethyl 2-[2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18287510
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 52904256
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate (CID 19570396) is ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C(C)Cn2cc(Cl)cn2)n1.
What is the InChIKey of ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MJGCPXBIYCIFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-3-22-12(20)4-11-8-23-14(17-11)18-13(21)9(2)6-19-7-10(15)5-16-19/h5,7-9H,3-4,6H2,1-2H3,(H,17,18,21).
What are the key properties of ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 356.84 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19570396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).