N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide

C24H20FN3O3S — CID 42764822

IUPACN-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(-c3csc(Nc4ccc(F)cc4)n3)c2)c1
InChIInChI=1S/C24H20FN3O3S/c1-30-20-11-16(12-21(13-20)31-2)23(29)26-19-5-3-4-15(10-19)22-14-32-24(28-22)27-18-8-6-17(25)7-9-18/h3-14H,1-2H3,(H,26,29)(H,27,28)
InChIKeyBMFRMHSZMSRZAZ-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.96
Rot. Bonds7

About N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide

N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide (PubChem CID 42764822) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
PubChem CID42764822
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(-c3csc(Nc4ccc(F)cc4)n3)c2)c1
InChIInChI=1S/C24H20FN3O3S/c1-30-20-11-16(12-21(13-20)31-2)23(29)26-19-5-3-4-15(10-19)22-14-32-24(28-22)27-18-8-6-17(25)7-9-18/h3-14H,1-2H3,(H,26,29)(H,27,28)
InChIKeyBMFRMHSZMSRZAZ-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

N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
CID 4997777
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
N-[3-[2-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 21358305

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide (CID 42764822) is N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cccc(-c3csc(Nc4ccc(F)cc4)n3)c2)c1.
What is the InChIKey of N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide?
The InChIKey is BMFRMHSZMSRZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-30-20-11-16(12-21(13-20)31-2)23(29)26-19-5-3-4-15(10-19)22-14-32-24(28-22)27-18-8-6-17(25)7-9-18/h3-14H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide?
N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-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-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 42764822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).