N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide

C18H19F4N3O2S — CID 155534821

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCOCC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H19F4N3O2S/c1-10(2)15-14(24-17(28-15)25-5-7-27-8-6-25)16(26)23-13-4-3-11(19)9-12(13)18(20,21)22/h3-4,9-10H,5-8H2,1-2H3,(H,23,26)
InChIKeyIYFZZCBCEFIKAV-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.51
Rot. Bonds4

About N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155534821) has the molecular formula C18H19F4N3O2S and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155534821
Molecular FormulaC18H19F4N3O2S
Molecular Weight417.43 g/mol
Exact Mass417.11
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCOCC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H19F4N3O2S/c1-10(2)15-14(24-17(28-15)25-5-7-27-8-6-25)16(26)23-13-4-3-11(19)9-12(13)18(20,21)22/h3-4,9-10H,5-8H2,1-2H3,(H,23,26)
InChIKeyIYFZZCBCEFIKAV-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155534821) is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1sc(N2CCOCC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is IYFZZCBCEFIKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O2S/c1-10(2)15-14(24-17(28-15)25-5-7-27-8-6-25)16(26)23-13-4-3-11(19)9-12(13)18(20,21)22/h3-4,9-10H,5-8H2,1-2H3,(H,23,26).
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155534821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).