N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide

C14H13F3N2OS — CID 15239727

IUPACN-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCCc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(C)=O)s1
InChIInChI=1S/C14H13F3N2OS/c1-3-12-8-19(13(21-12)18-9(2)20)11-6-4-5-10(7-11)14(15,16)17/h4-8H,3H2,1-2H3/b18-13-
InChIKeyRDYDUOGBISQWBO-AQTBWJFISA-N
MW314.33 g/mol
LogP3.57
Rot. Bonds2

About N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide

N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide (PubChem CID 15239727) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide
PubChem CID15239727
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC NameN-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCCc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(C)=O)s1
InChIInChI=1S/C14H13F3N2OS/c1-3-12-8-19(13(21-12)18-9(2)20)11-6-4-5-10(7-11)14(15,16)17/h4-8H,3H2,1-2H3/b18-13-
InChIKeyRDYDUOGBISQWBO-AQTBWJFISA-N
XLogP3.57
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide?
The IUPAC name of N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide (CID 15239727) is N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide?
The canonical SMILES for N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide is CCc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(C)=O)s1.
What is the InChIKey of N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide?
The InChIKey is RDYDUOGBISQWBO-AQTBWJFISA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-3-12-8-19(13(21-12)18-9(2)20)11-6-4-5-10(7-11)14(15,16)17/h4-8H,3H2,1-2H3/b18-13-.
What are the key properties of N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide?
N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 314.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 15239727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).