7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide

C19H17F3N2O2S — CID 160819113

IUPAC7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide
SMILESCC(C)C1=CC(=O)Cc2cc(C(=O)NCc3cnc(C(F)(F)F)s3)ccc21
InChIInChI=1S/C19H17F3N2O2S/c1-10(2)16-7-13(25)6-12-5-11(3-4-15(12)16)17(26)23-8-14-9-24-18(27-14)19(20,21)22/h3-5,7,9-10H,6,8H2,1-2H3,(H,23,26)
InChIKeyRCFONFXLFVAAAD-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.26
Rot. Bonds4

About 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide

7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide (PubChem CID 160819113) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide
PubChem CID160819113
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide
SMILESCC(C)C1=CC(=O)Cc2cc(C(=O)NCc3cnc(C(F)(F)F)s3)ccc21
InChIInChI=1S/C19H17F3N2O2S/c1-10(2)16-7-13(25)6-12-5-11(3-4-15(12)16)17(26)23-8-14-9-24-18(27-14)19(20,21)22/h3-5,7,9-10H,6,8H2,1-2H3,(H,23,26)
InChIKeyRCFONFXLFVAAAD-UHFFFAOYSA-N
XLogP4.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide?
The IUPAC name of 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide (CID 160819113) is 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide.
What is the SMILES notation for 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide?
The canonical SMILES for 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide is CC(C)C1=CC(=O)Cc2cc(C(=O)NCc3cnc(C(F)(F)F)s3)ccc21.
What is the InChIKey of 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide?
The InChIKey is RCFONFXLFVAAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-10(2)16-7-13(25)6-12-5-11(3-4-15(12)16)17(26)23-8-14-9-24-18(27-14)19(20,21)22/h3-5,7,9-10H,6,8H2,1-2H3,(H,23,26).
What are the key properties of 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide?
7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-propan-2-yl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-8H-naphthalene-2-carboxamide is sourced from PubChem (CID 160819113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).