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

C15H14F3N3O4S — CID 2814000

IUPACethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O4S/c1-2-24-12(22)7-10-8-26-14(20-10)21-13(23)19-9-3-5-11(6-4-9)25-15(16,17)18/h3-6,8H,2,7H2,1H3,(H2,19,20,21,23)
InChIKeyGZQXKSQSVOBOMY-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.79
Rot. Bonds6

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

ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 2814000) has the molecular formula C15H14F3N3O4S and a molecular weight of 389.36 g/mol. Its IUPAC name is ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID2814000
Molecular FormulaC15H14F3N3O4S
Molecular Weight389.36 g/mol
Exact Mass389.07
IUPAC Nameethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O4S/c1-2-24-12(22)7-10-8-26-14(20-10)21-13(23)19-9-3-5-11(6-4-9)25-15(16,17)18/h3-6,8H,2,7H2,1H3,(H2,19,20,21,23)
InChIKeyGZQXKSQSVOBOMY-UHFFFAOYSA-N
XLogP3.79
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate (CID 2814000) is ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is GZQXKSQSVOBOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S/c1-2-24-12(22)7-10-8-26-14(20-10)21-13(23)19-9-3-5-11(6-4-9)25-15(16,17)18/h3-6,8H,2,7H2,1H3,(H2,19,20,21,23).
What are the key properties of ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 389.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2814000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).