ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate

C14H11Cl2N3O4S — CID 15053496

IUPACethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1csc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H11Cl2N3O4S/c1-2-23-12(21)11(20)10-6-24-14(18-10)19-13(22)17-7-3-4-8(15)9(16)5-7/h3-6H,2H2,1H3,(H2,17,18,19,22)
InChIKeyGNIKGCBJDOIAQO-UHFFFAOYSA-N
MW388.23 g/mol
LogP3.84
Rot. Bonds5

About ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate

ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate (PubChem CID 15053496) has the molecular formula C14H11Cl2N3O4S and a molecular weight of 388.23 g/mol. Its IUPAC name is ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
PubChem CID15053496
Molecular FormulaC14H11Cl2N3O4S
Molecular Weight388.23 g/mol
Exact Mass386.98
IUPAC Nameethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1csc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H11Cl2N3O4S/c1-2-23-12(21)11(20)10-6-24-14(18-10)19-13(22)17-7-3-4-8(15)9(16)5-7/h3-6H,2H2,1H3,(H2,17,18,19,22)
InChIKeyGNIKGCBJDOIAQO-UHFFFAOYSA-N
XLogP3.84
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[(2,6-dimethylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 15053505
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
ethyl 2-[2-[(3-chlorophenyl)sulfanylcarbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 23047576
ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
ethyl 4-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697597
2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 15053516
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
CID 23613697
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 10137087
ethyl 2-[2-(2-methylbutan-2-yloxycarbonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
CID 19978748
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
CID 121080352

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate (CID 15053496) is ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate is CCOC(=O)C(=O)c1csc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate?
The InChIKey is GNIKGCBJDOIAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O4S/c1-2-23-12(21)11(20)10-6-24-14(18-10)19-13(22)17-7-3-4-8(15)9(16)5-7/h3-6H,2H2,1H3,(H2,17,18,19,22).
What are the key properties of ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate?
ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate has a molecular weight of 388.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate is sourced from PubChem (CID 15053496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).