4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide

C19H16FN3OS — CID 4224045

IUPAC4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESC=CCNc1nc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1
InChIInChI=1S/C19H16FN3OS/c1-2-11-21-19-23-17(12-25-19)13-5-9-16(10-6-13)22-18(24)14-3-7-15(20)8-4-14/h2-10,12H,1,11H2,(H,21,23)(H,22,24)
InChIKeyQLBGHXYSGJWPKR-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.80
Rot. Bonds6

About 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide

4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 4224045) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID4224045
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESC=CCNc1nc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1
InChIInChI=1S/C19H16FN3OS/c1-2-11-21-19-23-17(12-25-19)13-5-9-16(10-6-13)22-18(24)14-3-7-15(20)8-4-14/h2-10,12H,1,11H2,(H,21,23)(H,22,24)
InChIKeyQLBGHXYSGJWPKR-UHFFFAOYSA-N
XLogP4.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3526553
N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
CID 133370970
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3443963
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492839

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 4224045) is 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide is C=CCNc1nc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1.
What is the InChIKey of 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is QLBGHXYSGJWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-2-11-21-19-23-17(12-25-19)13-5-9-16(10-6-13)22-18(24)14-3-7-15(20)8-4-14/h2-10,12H,1,11H2,(H,21,23)(H,22,24).
What are the key properties of 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 4224045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).