3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide

C19H24N5O3PS — CID 143077342

IUPAC3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide
SMILESCCP(Nc1nsnc1Nc1ccc(C)c(C(=O)NC)c1O)c1cc(C)c(C)o1
InChIInChI=1S/C19H24N5O3PS/c1-6-28(14-9-11(3)12(4)27-14)22-18-17(23-29-24-18)21-13-8-7-10(2)15(16(13)25)19(26)20-5/h7-9,25H,6H2,1-5H3,(H,20,26)(H,21,23)(H,22,24)
InChIKeyKGWKRFLDMIYDHN-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.02
Rot. Bonds7

About 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide

3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide (PubChem CID 143077342) has the molecular formula C19H24N5O3PS and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide
PubChem CID143077342
Molecular FormulaC19H24N5O3PS
Molecular Weight433.47 g/mol
Exact Mass433.13
IUPAC Name3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide
SMILESCCP(Nc1nsnc1Nc1ccc(C)c(C(=O)NC)c1O)c1cc(C)c(C)o1
InChIInChI=1S/C19H24N5O3PS/c1-6-28(14-9-11(3)12(4)27-14)22-18-17(23-29-24-18)21-13-8-7-10(2)15(16(13)25)19(26)20-5/h7-9,25H,6H2,1-5H3,(H,20,26)(H,21,23)(H,22,24)
InChIKeyKGWKRFLDMIYDHN-UHFFFAOYSA-N
XLogP4.02
TPSA112.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide 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 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide?
The IUPAC name of 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide (CID 143077342) is 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide.
What is the SMILES notation for 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide?
The canonical SMILES for 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide is CCP(Nc1nsnc1Nc1ccc(C)c(C(=O)NC)c1O)c1cc(C)c(C)o1.
What is the InChIKey of 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide?
The InChIKey is KGWKRFLDMIYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N5O3PS/c1-6-28(14-9-11(3)12(4)27-14)22-18-17(23-29-24-18)21-13-8-7-10(2)15(16(13)25)19(26)20-5/h7-9,25H,6H2,1-5H3,(H,20,26)(H,21,23)(H,22,24).
What are the key properties of 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide?
3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide has a molecular weight of 433.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[(4,5-dimethylfuran-2-yl)-ethylphosphanyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,6-dimethylbenzamide is sourced from PubChem (CID 143077342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).