N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide

C24H20FN3O3S — CID 4997777

IUPACN-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc2)c(OC)c1
InChIInChI=1S/C24H20FN3O3S/c1-30-19-11-12-20(22(13-19)31-2)23(29)26-17-7-3-15(4-8-17)21-14-32-24(28-21)27-18-9-5-16(25)6-10-18/h3-14H,1-2H3,(H,26,29)(H,27,28)
InChIKeyQRYPNKNCVLTKFM-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.96
Rot. Bonds7

About N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide

N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide (PubChem CID 4997777) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
PubChem CID4997777
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc2)c(OC)c1
InChIInChI=1S/C24H20FN3O3S/c1-30-19-11-12-20(22(13-19)31-2)23(29)26-17-7-3-15(4-8-17)21-14-32-24(28-21)27-18-9-5-16(25)6-10-18/h3-14H,1-2H3,(H,26,29)(H,27,28)
InChIKeyQRYPNKNCVLTKFM-UHFFFAOYSA-N
XLogP5.96
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[4-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 1092446
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2,4-dimethoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3533618
2,4-dimethoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 1049837
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
CID 42764822
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide (CID 4997777) is N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc2)c(OC)c1.
What is the InChIKey of N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide?
The InChIKey is QRYPNKNCVLTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-30-19-11-12-20(22(13-19)31-2)23(29)26-17-7-3-15(4-8-17)21-14-32-24(28-21)27-18-9-5-16(25)6-10-18/h3-14H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide?
N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide has a molecular weight of 449.51 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 4997777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).