N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide

C19H14F3N3O2S — CID 86891581

IUPACN-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)14-8-6-13(7-9-14)17(27)23-11-16(26)25-18-24-10-15(28-18)12-4-2-1-3-5-12/h1-10H,11H2,(H,23,27)(H,24,25,26)
InChIKeyVKZGBUWBSFYLFX-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.20
Rot. Bonds5

About N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 86891581) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID86891581
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC NameN-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)14-8-6-13(7-9-14)17(27)23-11-16(26)25-18-24-10-15(28-18)12-4-2-1-3-5-12/h1-10H,11H2,(H,23,27)(H,24,25,26)
InChIKeyVKZGBUWBSFYLFX-UHFFFAOYSA-N
XLogP4.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 37018718
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 19256575
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 47028162
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 55438240
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 172622928
N-(4-fluorophenyl)-2-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 55637671
3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 155962659
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 86891581) is N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VKZGBUWBSFYLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c20-19(21,22)14-8-6-13(7-9-14)17(27)23-11-16(26)25-18-24-10-15(28-18)12-4-2-1-3-5-12/h1-10H,11H2,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 405.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86891581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).