2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide

C22H19F2N3O2S — CID 55494609

IUPAC2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C22H19F2N3O2S/c23-16-7-8-17(18(24)10-16)21(29)25-11-20(28)27-22-26-19(12-30-22)15-6-5-13-3-1-2-4-14(13)9-15/h5-10,12H,1-4,11H2,(H,25,29)(H,26,27,28)
InChIKeyTUNYGESXOOWPQP-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.34
Rot. Bonds5

About 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide (PubChem CID 55494609) has the molecular formula C22H19F2N3O2S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
PubChem CID55494609
Molecular FormulaC22H19F2N3O2S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C22H19F2N3O2S/c23-16-7-8-17(18(24)10-16)21(29)25-11-20(28)27-22-26-19(12-30-22)15-6-5-13-3-1-2-4-14(13)9-15/h5-10,12H,1-4,11H2,(H,25,29)(H,26,27,28)
InChIKeyTUNYGESXOOWPQP-UHFFFAOYSA-N
XLogP4.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7915677
N-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 112805403
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24597218
2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4089252
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 25485702
2-(3-fluorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16548821
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
2,4-difluoro-N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 55494134
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657106
2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 134051932
3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 8780790
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide (CID 55494609) is 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The InChIKey is TUNYGESXOOWPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2S/c23-16-7-8-17(18(24)10-16)21(29)25-11-20(28)27-22-26-19(12-30-22)15-6-5-13-3-1-2-4-14(13)9-15/h5-10,12H,1-4,11H2,(H,25,29)(H,26,27,28).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide has a molecular weight of 427.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 55494609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).