ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride

C15H17Cl2N3O4S — CID 119672760

IUPACethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(Cl)c(N)cc2OC)n1.Cl
InChIInChI=1S/C15H16ClN3O4S.ClH/c1-3-23-13(20)4-8-7-24-15(18-8)19-14(21)9-5-10(16)11(17)6-12(9)22-2;/h5-7H,3-4,17H2,1-2H3,(H,18,19,21);1H
InChIKeyRNOQFOUKPHZPSI-UHFFFAOYSA-N
MW406.29 g/mol
LogP3.17
Rot. Bonds6

About ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride

ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride (PubChem CID 119672760) has the molecular formula C15H17Cl2N3O4S and a molecular weight of 406.29 g/mol. Its IUPAC name is ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
PubChem CID119672760
Molecular FormulaC15H17Cl2N3O4S
Molecular Weight406.29 g/mol
Exact Mass405.03
IUPAC Nameethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(Cl)c(N)cc2OC)n1.Cl
InChIInChI=1S/C15H16ClN3O4S.ClH/c1-3-23-13(20)4-8-7-24-15(18-8)19-14(21)9-5-10(16)11(17)6-12(9)22-2;/h5-7H,3-4,17H2,1-2H3,(H,18,19,21);1H
InChIKeyRNOQFOUKPHZPSI-UHFFFAOYSA-N
XLogP3.17
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride
CID 119830565
ethyl 2-[2-[(2-chloro-5-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 5167153
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate
CID 2314297
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046465
ethyl 2-[2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2204235
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride?
The IUPAC name of ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride (CID 119672760) is ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride is CCOC(=O)Cc1csc(NC(=O)c2cc(Cl)c(N)cc2OC)n1.Cl.
What is the InChIKey of ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride?
The InChIKey is RNOQFOUKPHZPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S.ClH/c1-3-23-13(20)4-8-7-24-15(18-8)19-14(21)9-5-10(16)11(17)6-12(9)22-2;/h5-7H,3-4,17H2,1-2H3,(H,18,19,21);1H.
What are the key properties of ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride?
ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride has a molecular weight of 406.29 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride is sourced from PubChem (CID 119672760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).