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

C14H13Cl2N3O3S — CID 1051971

IUPACethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H13Cl2N3O3S/c1-2-22-12(20)6-9-7-23-14(18-9)19-13(21)17-8-3-4-10(15)11(16)5-8/h3-5,7H,2,6H2,1H3,(H2,17,18,19,21)
InChIKeyQYEAFWVTYABBBV-UHFFFAOYSA-N
MW374.25 g/mol
LogP4.20
Rot. Bonds5

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

ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 1051971) has the molecular formula C14H13Cl2N3O3S and a molecular weight of 374.25 g/mol. Its IUPAC name is ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID1051971
Molecular FormulaC14H13Cl2N3O3S
Molecular Weight374.25 g/mol
Exact Mass373.01
IUPAC Nameethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H13Cl2N3O3S/c1-2-22-12(20)6-9-7-23-14(18-9)19-13(21)17-8-3-4-10(15)11(16)5-8/h3-5,7H,2,6H2,1H3,(H2,17,18,19,21)
InChIKeyQYEAFWVTYABBBV-UHFFFAOYSA-N
XLogP4.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (CID 1051971) is ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(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]acetate?
The InChIKey is QYEAFWVTYABBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3S/c1-2-22-12(20)6-9-7-23-14(18-9)19-13(21)17-8-3-4-10(15)11(16)5-8/h3-5,7H,2,6H2,1H3,(H2,17,18,19,21).
What are the key properties of ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 374.25 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1051971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).