ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C19H19ClN4O4S — CID 19271412

IUPACethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)n1
InChIInChI=1S/C19H19ClN4O4S/c1-3-27-17(25)9-13-10-29-19(21-13)22-18(26)16-6-7-24(23-16)11-28-14-4-5-15(20)12(2)8-14/h4-8,10H,3,9,11H2,1-2H3,(H,21,22,26)
InChIKeyGYEOPMNVYWSECF-UHFFFAOYSA-N
MW434.91 g/mol
LogP3.70
Rot. Bonds8

About ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19271412) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19271412
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC Nameethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)n1
InChIInChI=1S/C19H19ClN4O4S/c1-3-27-17(25)9-13-10-29-19(21-13)22-18(26)16-6-7-24(23-16)11-28-14-4-5-15(20)12(2)8-14/h4-8,10H,3,9,11H2,1-2H3,(H,21,22,26)
InChIKeyGYEOPMNVYWSECF-UHFFFAOYSA-N
XLogP3.70
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19581726
1-[(4-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4774579
1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide
CID 19271346
dimethyl 5-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19271311
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
ethyl 4-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 19472796
ethyl 2-[2-[[2-[[5-[1-(4-chloro-3-methylphenoxy)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 17307190
1-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19396452
ethyl 2-[2-[[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 24608759
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 9404250
ethyl 2-[2-[(2-chloro-5-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 5167153
1-[(4-chloro-3-methylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide
CID 17021937

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 19271412) is ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)n1.
What is the InChIKey of ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is GYEOPMNVYWSECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c1-3-27-17(25)9-13-10-29-19(21-13)22-18(26)16-6-7-24(23-16)11-28-14-4-5-15(20)12(2)8-14/h4-8,10H,3,9,11H2,1-2H3,(H,21,22,26).
What are the key properties of ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 434.91 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19271412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).