ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate

C14H14ClN3O3S — CID 719141

IUPACethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H14ClN3O3S/c1-3-21-12(19)11-8(2)16-14(22-11)18-13(20)17-10-6-4-9(15)5-7-10/h4-7H,3H2,1-2H3,(H2,16,17,18,20)
InChIKeyPVXNYVZFVQKSPO-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.93
Rot. Bonds4

About ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 719141) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID719141
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Nameethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H14ClN3O3S/c1-3-21-12(19)11-8(2)16-14(22-11)18-13(20)17-10-6-4-9(15)5-7-10/h4-7H,3H2,1-2H3,(H2,16,17,18,20)
InChIKeyPVXNYVZFVQKSPO-UHFFFAOYSA-N
XLogP3.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-((4-chlorophenyl)amino)thiazole-4-carboxylate
CID 53428670
Ethyl 2-((4-fluorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 935079
Ethyl 2-[(4-bromophenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 947453
Ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
Ethyl 2-((3-chlorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 2731542
Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 972118
Ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2472130
Ethyl 2-((4-chlorophenyl)amino)-4-phenylthiazole-5-carboxylate
CID 10808375
Ethyl 2-(3-chloro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 100253413
Ethyl 2-(3-chloro-4-methylanilino)-4-cyclopropyl-1,3-thiazole-5-carboxylate
CID 118732506
Ethyl 4-tert-butyl-2-(3-chloro-4-methylanilino)-1,3-thiazole-5-carboxylate
CID 118732509
Ethyl (2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2816687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 719141) is ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PVXNYVZFVQKSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-3-21-12(19)11-8(2)16-14(22-11)18-13(20)17-10-6-4-9(15)5-7-10/h4-7H,3H2,1-2H3,(H2,16,17,18,20).
What are the key properties of ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 339.80 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 719141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).