N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

C20H18FN3O2S — CID 9166885

IUPACN-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCCCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C20H18FN3O2S/c1-2-5-18(25)22-14-10-8-13(9-11-14)17-12-27-20(23-17)24-19(26)15-6-3-4-7-16(15)21/h3-4,6-12H,2,5H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyYGMGODHWACUVFM-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.94
Rot. Bonds6

About N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 9166885) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID9166885
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCCCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C20H18FN3O2S/c1-2-5-18(25)22-14-10-8-13(9-11-14)17-12-27-20(23-17)24-19(26)15-6-3-4-7-16(15)21/h3-4,6-12H,2,5H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyYGMGODHWACUVFM-UHFFFAOYSA-N
XLogP4.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533912
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide
CID 28865020
2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492826
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 17417845
2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 4034400
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 9166885) is N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is CCCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1.
What is the InChIKey of N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is YGMGODHWACUVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-2-5-18(25)22-14-10-8-13(9-11-14)17-12-27-20(23-17)24-19(26)15-6-3-4-7-16(15)21/h3-4,6-12H,2,5H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 383.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 9166885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).