N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide

C23H19FN4O2S — CID 36541524

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)nc4ccc(C)cc34)n2)c(F)c1
InChIInChI=1S/C23H19FN4O2S/c1-12-4-7-20-17(8-12)18(9-13(2)25-20)22(30)28-23-27-21(11-31-23)16-6-5-15(10-19(16)24)26-14(3)29/h4-11H,1-3H3,(H,26,29)(H,27,28,30)
InChIKeyILSQHSIXMFTOBP-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.32
Rot. Bonds4

About N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 36541524) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID36541524
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)nc4ccc(C)cc34)n2)c(F)c1
InChIInChI=1S/C23H19FN4O2S/c1-12-4-7-20-17(8-12)18(9-13(2)25-20)22(30)28-23-27-21(11-31-23)16-6-5-15(10-19(16)24)26-14(3)29/h4-11H,1-3H3,(H,26,29)(H,27,28,30)
InChIKeyILSQHSIXMFTOBP-UHFFFAOYSA-N
XLogP5.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24556422
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 39804997
methyl 5-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55824497
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55460998
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
(3S)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 26207190
(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide
CID 24556381
N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
CID 9356412
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide
CID 119275665
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
CID 55461133

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide (CID 36541524) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)nc4ccc(C)cc34)n2)c(F)c1.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is ILSQHSIXMFTOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-12-4-7-20-17(8-12)18(9-13(2)25-20)22(30)28-23-27-21(11-31-23)16-6-5-15(10-19(16)24)26-14(3)29/h4-11H,1-3H3,(H,26,29)(H,27,28,30).
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 36541524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).