N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

C14H10F3N3O2S — CID 14140543

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NC1=NCCS1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-1-2-7-10(9)19-6-8(11(7)21)12(22)20-13-18-4-5-23-13/h1-3,6H,4-5H2,(H,19,21)(H,18,20,22)
InChIKeyHDKSWXUIEYLWBA-UHFFFAOYSA-N
MW341.31 g/mol
LogP2.38
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 14140543) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID14140543
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NC1=NCCS1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-1-2-7-10(9)19-6-8(11(7)21)12(22)20-13-18-4-5-23-13/h1-3,6H,4-5H2,(H,19,21)(H,18,20,22)
InChIKeyHDKSWXUIEYLWBA-UHFFFAOYSA-N
XLogP2.38
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 14140543) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is O=C(NC1=NCCS1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is HDKSWXUIEYLWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-1-2-7-10(9)19-6-8(11(7)21)12(22)20-13-18-4-5-23-13/h1-3,6H,4-5H2,(H,19,21)(H,18,20,22).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 341.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 14140543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).