ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate

C14H14ClN3O3S — CID 2816687

IUPACethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O3S/c1-2-21-12(19)7-11-8-22-14(17-11)18-13(20)16-10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H2,16,17,18,20)
InChIKeyXRAFDUKEKHMHOS-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.55
Rot. Bonds5

About ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 2816687) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID2816687
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Nameethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O3S/c1-2-21-12(19)7-11-8-22-14(17-11)18-13(20)16-10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H2,16,17,18,20)
InChIKeyXRAFDUKEKHMHOS-UHFFFAOYSA-N
XLogP3.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (CID 2816687) is ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is XRAFDUKEKHMHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-2-21-12(19)7-11-8-22-14(17-11)18-13(20)16-10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H2,16,17,18,20).
What are the key properties of ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 339.80 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2816687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).