N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide

C20H19FN4O2S — CID 55388028

IUPACN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)/N=c1\sccn1Cc1ccccc1F
InChIInChI=1S/C20H19FN4O2S/c21-17-9-5-4-6-15(17)14-25-12-13-28-20(25)24-18(26)10-11-22-19(27)23-16-7-2-1-3-8-16/h1-9,12-13H,10-11,14H2,(H2,22,23,27)/b24-20-
InChIKeyVFSNARUADXFSGN-GFMRDNFCSA-N
MW398.46 g/mol
LogP3.38
Rot. Bonds6

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide (PubChem CID 55388028) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide
PubChem CID55388028
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)/N=c1\sccn1Cc1ccccc1F
InChIInChI=1S/C20H19FN4O2S/c21-17-9-5-4-6-15(17)14-25-12-13-28-20(25)24-18(26)10-11-22-19(27)23-16-7-2-1-3-8-16/h1-9,12-13H,10-11,14H2,(H2,22,23,27)/b24-20-
InChIKeyVFSNARUADXFSGN-GFMRDNFCSA-N
XLogP3.38
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide 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 N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide (CID 55388028) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide is O=C(CCNC(=O)Nc1ccccc1)/N=c1\sccn1Cc1ccccc1F.
What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide?
The InChIKey is VFSNARUADXFSGN-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-17-9-5-4-6-15(17)14-25-12-13-28-20(25)24-18(26)10-11-22-19(27)23-16-7-2-1-3-8-16/h1-9,12-13H,10-11,14H2,(H2,22,23,27)/b24-20-.
What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide?
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide has a molecular weight of 398.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 55388028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).