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

C18H21F4N3O2S — CID 155553548

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOCCN(C)c1nc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C18H21F4N3O2S/c1-10(2)15-14(24-17(28-15)25(3)7-8-27-4)16(26)23-13-6-5-11(19)9-12(13)18(20,21)22/h5-6,9-10H,7-8H2,1-4H3,(H,23,26)
InChIKeyJHUCBQFKAHYHHB-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.76
Rot. Bonds7

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

N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155553548) has the molecular formula C18H21F4N3O2S and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155553548
Molecular FormulaC18H21F4N3O2S
Molecular Weight419.44 g/mol
Exact Mass419.13
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOCCN(C)c1nc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C18H21F4N3O2S/c1-10(2)15-14(24-17(28-15)25(3)7-8-27-4)16(26)23-13-6-5-11(19)9-12(13)18(20,21)22/h5-6,9-10H,7-8H2,1-4H3,(H,23,26)
InChIKeyJHUCBQFKAHYHHB-UHFFFAOYSA-N
XLogP4.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.76
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-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155553548) is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide is COCCN(C)c1nc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c(C(C)C)s1.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JHUCBQFKAHYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N3O2S/c1-10(2)15-14(24-17(28-15)25(3)7-8-27-4)16(26)23-13-6-5-11(19)9-12(13)18(20,21)22/h5-6,9-10H,7-8H2,1-4H3,(H,23,26).
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 4.76, 7 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-[2-methoxyethyl(methyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155553548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).