[4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid

C23H18FN5O4S — CID 22224834

IUPAC[4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid
SMILESCc1cn(-c2nc(C(=O)CC(=O)Nc3cc(-c4ccc(F)cc4)ccc3NC(=O)O)cs2)cn1
InChIInChI=1S/C23H18FN5O4S/c1-13-10-29(12-25-13)22-27-19(11-34-22)20(30)9-21(31)26-18-8-15(4-7-17(18)28-23(32)33)14-2-5-16(24)6-3-14/h2-8,10-12,28H,9H2,1H3,(H,26,31)(H,32,33)
InChIKeyCZIRZZZNQIVKOB-UHFFFAOYSA-N
MW479.49 g/mol
LogP4.74
Rot. Bonds7

About [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid

[4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid (PubChem CID 22224834) has the molecular formula C23H18FN5O4S and a molecular weight of 479.49 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid
PubChem CID22224834
Molecular FormulaC23H18FN5O4S
Molecular Weight479.49 g/mol
Exact Mass479.11
IUPAC Name[4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid
SMILESCc1cn(-c2nc(C(=O)CC(=O)Nc3cc(-c4ccc(F)cc4)ccc3NC(=O)O)cs2)cn1
InChIInChI=1S/C23H18FN5O4S/c1-13-10-29(12-25-13)22-27-19(11-34-22)20(30)9-21(31)26-18-8-15(4-7-17(18)28-23(32)33)14-2-5-16(24)6-3-14/h2-8,10-12,28H,9H2,1H3,(H,26,31)(H,32,33)
InChIKeyCZIRZZZNQIVKOB-UHFFFAOYSA-N
XLogP4.74
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid?
The IUPAC name of [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid (CID 22224834) is [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid?
The canonical SMILES for [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid is Cc1cn(-c2nc(C(=O)CC(=O)Nc3cc(-c4ccc(F)cc4)ccc3NC(=O)O)cs2)cn1.
What is the InChIKey of [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid?
The InChIKey is CZIRZZZNQIVKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O4S/c1-13-10-29(12-25-13)22-27-19(11-34-22)20(30)9-21(31)26-18-8-15(4-7-17(18)28-23(32)33)14-2-5-16(24)6-3-14/h2-8,10-12,28H,9H2,1H3,(H,26,31)(H,32,33).
What are the key properties of [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid?
[4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid has a molecular weight of 479.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-[[3-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-3-oxopropanoyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 22224834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).