2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

C22H17F4N4O3S- — CID 87579445

IUPAC2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1C(=O)c2c(CC(=O)Nc3nc(-c4cc(F)cc(C(F)(F)F)c4)cs3)cncc2C(C)N1[O-]
InChIInChI=1S/C22H17F4N4O3S/c1-10-16-8-27-7-13(19(16)20(32)11(2)30(10)33)5-18(31)29-21-28-17(9-34-21)12-3-14(22(24,25)26)6-15(23)4-12/h3-4,6-11H,5H2,1-2H3,(H,28,29,31)/q-1
InChIKeyHCTSQRJNRKAMKR-UHFFFAOYSA-N
MW493.46 g/mol
LogP4.99
Rot. Bonds4

About 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 87579445) has the molecular formula C22H17F4N4O3S- and a molecular weight of 493.46 g/mol. Its IUPAC name is 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID87579445
Molecular FormulaC22H17F4N4O3S-
Molecular Weight493.46 g/mol
Exact Mass493.10
IUPAC Name2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1C(=O)c2c(CC(=O)Nc3nc(-c4cc(F)cc(C(F)(F)F)c4)cs3)cncc2C(C)N1[O-]
InChIInChI=1S/C22H17F4N4O3S/c1-10-16-8-27-7-13(19(16)20(32)11(2)30(10)33)5-18(31)29-21-28-17(9-34-21)12-3-14(22(24,25)26)6-15(23)4-12/h3-4,6-11H,5H2,1-2H3,(H,28,29,31)/q-1
InChIKeyHCTSQRJNRKAMKR-UHFFFAOYSA-N
XLogP4.99
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(2,5,7-trimethyl-6-oxido-4-oxo-6,7-dihydro-5H-pyrazolo[3,4-c]pyridin-6-ium-3-yl)acetamide
CID 87578879
N-[4-[2,3-difluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide
CID 44594710
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534791
2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 88904480
N-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methyl-2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-5-yl)acetamide
CID 89012897
N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118641325
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 166634928
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 16593333
4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
CID 47045100
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 87579445) is 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is CC1C(=O)c2c(CC(=O)Nc3nc(-c4cc(F)cc(C(F)(F)F)c4)cs3)cncc2C(C)N1[O-].
What is the InChIKey of 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HCTSQRJNRKAMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N4O3S/c1-10-16-8-27-7-13(19(16)20(32)11(2)30(10)33)5-18(31)29-21-28-17(9-34-21)12-3-14(22(24,25)26)6-15(23)4-12/h3-4,6-11H,5H2,1-2H3,(H,28,29,31)/q-1.
What are the key properties of 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 493.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87579445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).