ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate

C20H17ClN4O4S — CID 1497931

IUPACethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H17ClN4O4S/c1-2-29-18(27)16-12-30-20(23-16)25(19(28)22-15-6-4-3-5-7-15)24-17(26)13-8-10-14(21)11-9-13/h3-12H,2H2,1H3,(H,22,28)(H,24,26)
InChIKeyMNPAJCBHAZPCTJ-UHFFFAOYSA-N
MW444.90 g/mol
LogP4.36
Rot. Bonds5

About ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 1497931) has the molecular formula C20H17ClN4O4S and a molecular weight of 444.90 g/mol. Its IUPAC name is ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID1497931
Molecular FormulaC20H17ClN4O4S
Molecular Weight444.90 g/mol
Exact Mass444.07
IUPAC Nameethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H17ClN4O4S/c1-2-29-18(27)16-12-30-20(23-16)25(19(28)22-15-6-4-3-5-7-15)24-17(26)13-8-10-14(21)11-9-13/h3-12H,2H2,1H3,(H,22,28)(H,24,26)
InChIKeyMNPAJCBHAZPCTJ-UHFFFAOYSA-N
XLogP4.36
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate 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-[[(4-chlorobenzoyl)amino]-[(4-chlorophenyl)carbamoyl]amino]-1,3-thiazole-4-carboxylate
CID 1497929
ethyl 2-[benzamido-(2-chloroacetyl)amino]-1,3-thiazole-4-carboxylate
CID 4874446
3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea
CID 1497964
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
2-bromo-N-pyridin-4-yl-1,3-thiazole-4-carboxamide;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158501248
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea
CID 110748214
ethyl 4-[(3-chlorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697628
ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate
CID 80569603
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate (CID 1497931) is ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccccc2)n1.
What is the InChIKey of ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is MNPAJCBHAZPCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4S/c1-2-29-18(27)16-12-30-20(23-16)25(19(28)22-15-6-4-3-5-7-15)24-17(26)13-8-10-14(21)11-9-13/h3-12H,2H2,1H3,(H,22,28)(H,24,26).
What are the key properties of ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 444.90 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1497931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).