N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide

C18H16FN3OS — CID 156772101

IUPACN-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C18H16FN3OS/c1-2-17(23)20-14-7-9-15(10-8-14)21-18-22-16(11-24-18)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyDUGFXEAONRZLTJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.04
Rot. Bonds5

About N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide

N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide (PubChem CID 156772101) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
PubChem CID156772101
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC NameN-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C18H16FN3OS/c1-2-17(23)20-14-7-9-15(10-8-14)21-18-22-16(11-24-18)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyDUGFXEAONRZLTJ-UHFFFAOYSA-N
XLogP5.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide (CID 156772101) is N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
The InChIKey is DUGFXEAONRZLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-2-17(23)20-14-7-9-15(10-8-14)21-18-22-16(11-24-18)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 156772101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).