methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate

C14H12F3N3O3S — CID 86603173

IUPACmethyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1cnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H12F3N3O3S/c1-23-11(21)6-10-7-18-13(24-10)20-12(22)19-9-4-2-3-8(5-9)14(15,16)17/h2-5,7H,6H2,1H3,(H2,18,19,20,22)
InChIKeyFUUPDYKMHHRTSV-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.52
Rot. Bonds4

About methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate

methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate (PubChem CID 86603173) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate
PubChem CID86603173
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Namemethyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1cnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H12F3N3O3S/c1-23-11(21)6-10-7-18-13(24-10)20-12(22)19-9-4-2-3-8(5-9)14(15,16)17/h2-5,7H,6H2,1H3,(H2,18,19,20,22)
InChIKeyFUUPDYKMHHRTSV-UHFFFAOYSA-N
XLogP3.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate?
The IUPAC name of methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate (CID 86603173) is methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate is COC(=O)Cc1cnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate?
The InChIKey is FUUPDYKMHHRTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c1-23-11(21)6-10-7-18-13(24-10)20-12(22)19-9-4-2-3-8(5-9)14(15,16)17/h2-5,7H,6H2,1H3,(H2,18,19,20,22).
What are the key properties of methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate?
methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate has a molecular weight of 359.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 86603173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).