N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide

C23H20F3N3O3S — CID 175371472

IUPACN-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESCC1(F)COCc2ccc(C(=O)NCC(=O)Nc3nc(-c4cccc(C(F)F)c4)cs3)cc21
InChIInChI=1S/C23H20F3N3O3S/c1-23(26)12-32-10-16-6-5-15(8-17(16)23)21(31)27-9-19(30)29-22-28-18(11-33-22)13-3-2-4-14(7-13)20(24)25/h2-8,11,20H,9-10,12H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyZSJHQMJYLIUKAH-UHFFFAOYSA-N
MW475.49 g/mol
LogP4.83
Rot. Bonds6

About N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide

N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide (PubChem CID 175371472) has the molecular formula C23H20F3N3O3S and a molecular weight of 475.49 g/mol. Its IUPAC name is N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide
PubChem CID175371472
Molecular FormulaC23H20F3N3O3S
Molecular Weight475.49 g/mol
Exact Mass475.12
IUPAC NameN-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESCC1(F)COCc2ccc(C(=O)NCC(=O)Nc3nc(-c4cccc(C(F)F)c4)cs3)cc21
InChIInChI=1S/C23H20F3N3O3S/c1-23(26)12-32-10-16-6-5-15(8-17(16)23)21(31)27-9-19(30)29-22-28-18(11-33-22)13-3-2-4-14(7-13)20(24)25/h2-8,11,20H,9-10,12H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyZSJHQMJYLIUKAH-UHFFFAOYSA-N
XLogP4.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
(8R)-N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 166521680
(4S)-4-cyano-N-[2-[[4-[3-[(1S)-2,2-difluorocyclopropyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-2,3-dihydrochromene-6-carboxamide
CID 166521604
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide
CID 166687160
(4R)-4-cyano-4-methyl-N-[2-[[4-[6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-dihydroisochromene-6-carboxamide
CID 166521631
N-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 112805403
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
CID 166521641
4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide
CID 166172269
N-[2-[[4-[3-(3,6-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 155037479
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide
CID 153333092
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-propan-2-ylsulfonylbenzamide
CID 166172356

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The IUPAC name of N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide (CID 175371472) is N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide.
What is the SMILES notation for N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The canonical SMILES for N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide is CC1(F)COCc2ccc(C(=O)NCC(=O)Nc3nc(-c4cccc(C(F)F)c4)cs3)cc21.
What is the InChIKey of N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The InChIKey is ZSJHQMJYLIUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3S/c1-23(26)12-32-10-16-6-5-15(8-17(16)23)21(31)27-9-19(30)29-22-28-18(11-33-22)13-3-2-4-14(7-13)20(24)25/h2-8,11,20H,9-10,12H2,1H3,(H,27,31)(H,28,29,30).
What are the key properties of N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide?
N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 475.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 175371472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).