N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide

C16H15ClF3N3O3S — CID 3645905

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1SC(N2CCOCC2)=NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H15ClF3N3O3S/c17-11-2-1-9(7-10(11)16(18,19)20)21-13(24)8-12-14(25)22-15(27-12)23-3-5-26-6-4-23/h1-2,7,12H,3-6,8H2,(H,21,24)
InChIKeyPMKGAQLHYBADKF-UHFFFAOYSA-N
MW421.83 g/mol
LogP3.02
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide (PubChem CID 3645905) has the molecular formula C16H15ClF3N3O3S and a molecular weight of 421.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
PubChem CID3645905
Molecular FormulaC16H15ClF3N3O3S
Molecular Weight421.83 g/mol
Exact Mass421.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1SC(N2CCOCC2)=NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H15ClF3N3O3S/c17-11-2-1-9(7-10(11)16(18,19)20)21-13(24)8-12-14(25)22-15(27-12)23-3-5-26-6-4-23/h1-2,7,12H,3-6,8H2,(H,21,24)
InChIKeyPMKGAQLHYBADKF-UHFFFAOYSA-N
XLogP3.02
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.83
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide (CID 3645905) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide is O=C(CC1SC(N2CCOCC2)=NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide?
The InChIKey is PMKGAQLHYBADKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3S/c17-11-2-1-9(7-10(11)16(18,19)20)21-13(24)8-12-14(25)22-15(27-12)23-3-5-26-6-4-23/h1-2,7,12H,3-6,8H2,(H,21,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide has a molecular weight of 421.83 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 3645905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).