4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine

C17H15F2N5S — CID 144519964

IUPAC4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine
SMILES[H]/N=C/c1cnc(Nc2cc(C)ns2)cc1NCc1cc(F)ccc1F
InChIInChI=1S/C17H15F2N5S/c1-10-4-17(25-24-10)23-16-6-15(12(7-20)9-22-16)21-8-11-5-13(18)2-3-14(11)19/h2-7,9,20H,8H2,1H3,(H2,21,22,23)/b20-7+
InChIKeyPMKIQARTPDXUFW-IFRROFPPSA-N
MW359.41 g/mol
LogP4.48
Rot. Bonds6

About 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine

4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine (PubChem CID 144519964) has the molecular formula C17H15F2N5S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine
PubChem CID144519964
Molecular FormulaC17H15F2N5S
Molecular Weight359.41 g/mol
Exact Mass359.10
IUPAC Name4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine
SMILES[H]/N=C/c1cnc(Nc2cc(C)ns2)cc1NCc1cc(F)ccc1F
InChIInChI=1S/C17H15F2N5S/c1-10-4-17(25-24-10)23-16-6-15(12(7-20)9-22-16)21-8-11-5-13(18)2-3-14(11)19/h2-7,9,20H,8H2,1H3,(H2,21,22,23)/b20-7+
InChIKeyPMKIQARTPDXUFW-IFRROFPPSA-N
XLogP4.48
TPSA73.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine 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-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine?
The IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine (CID 144519964) is 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine is [H]/N=C/c1cnc(Nc2cc(C)ns2)cc1NCc1cc(F)ccc1F.
What is the InChIKey of 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine?
The InChIKey is PMKIQARTPDXUFW-IFRROFPPSA-N. The full InChI is InChI=1S/C17H15F2N5S/c1-10-4-17(25-24-10)23-16-6-15(12(7-20)9-22-16)21-8-11-5-13(18)2-3-14(11)19/h2-7,9,20H,8H2,1H3,(H2,21,22,23)/b20-7+.
What are the key properties of 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine?
4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine has a molecular weight of 359.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine is sourced from PubChem (CID 144519964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).