N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide

C25H19N3O3S — CID 56547481

IUPACN-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H19N3O3S/c29-22(14-17-15-32-25(26-17)28-24(30)16-8-2-1-3-9-16)27-23-18-10-4-6-12-20(18)31-21-13-7-5-11-19(21)23/h1-13,15,23H,14H2,(H,27,29)(H,26,28,30)
InChIKeyPRKHGKILZNMPBX-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.95
Rot. Bonds5

About N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56547481) has the molecular formula C25H19N3O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID56547481
Molecular FormulaC25H19N3O3S
Molecular Weight441.51 g/mol
Exact Mass441.11
IUPAC NameN-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H19N3O3S/c29-22(14-17-15-32-25(26-17)28-24(30)16-8-2-1-3-9-16)27-23-18-10-4-6-12-20(18)31-21-13-7-5-11-19(21)23/h1-13,15,23H,14H2,(H,27,29)(H,26,28,30)
InChIKeyPRKHGKILZNMPBX-UHFFFAOYSA-N
XLogP4.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]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

N-[4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 46549313
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480
N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41483674
N-[4-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 25497907
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55807846
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide (CID 56547481) is N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is PRKHGKILZNMPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S/c29-22(14-17-15-32-25(26-17)28-24(30)16-8-2-1-3-9-16)27-23-18-10-4-6-12-20(18)31-21-13-7-5-11-19(21)23/h1-13,15,23H,14H2,(H,27,29)(H,26,28,30).
What are the key properties of N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 441.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56547481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).