4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

C20H17F2N3OS — CID 71887368

IUPAC4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(CN3CCCc4cc(F)c(F)cc43)cs2)cc1
InChIInChI=1S/C20H17F2N3OS/c21-16-8-14-2-1-7-25(18(14)9-17(16)22)10-15-11-27-20(24-15)13-5-3-12(4-6-13)19(23)26/h3-6,8-9,11H,1-2,7,10H2,(H2,23,26)
InChIKeyWZDVPHFEABLCQE-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.14
Rot. Bonds4

About 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 71887368) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID71887368
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(CN3CCCc4cc(F)c(F)cc43)cs2)cc1
InChIInChI=1S/C20H17F2N3OS/c21-16-8-14-2-1-7-25(18(14)9-17(16)22)10-15-11-27-20(24-15)13-5-3-12(4-6-13)19(23)26/h3-6,8-9,11H,1-2,7,10H2,(H2,23,26)
InChIKeyWZDVPHFEABLCQE-UHFFFAOYSA-N
XLogP4.14
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
4-[4-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 86959514
4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 136520575
4-[4-[[(2S,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 97325866
4-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 95044284
4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
CID 47364833
3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
CID 43823759
methyl 4-[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-1,3-thiazol-2-yl]benzoate
CID 71881274
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 103503789
2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16610877
1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75477384
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 71887368) is 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is NC(=O)c1ccc(-c2nc(CN3CCCc4cc(F)c(F)cc43)cs2)cc1.
What is the InChIKey of 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is WZDVPHFEABLCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c21-16-8-14-2-1-7-25(18(14)9-17(16)22)10-15-11-27-20(24-15)13-5-3-12(4-6-13)19(23)26/h3-6,8-9,11H,1-2,7,10H2,(H2,23,26).
What are the key properties of 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 385.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 71887368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).