N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine

C20H25N7OS — CID 15979745

IUPACN'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine
SMILESNCCCNc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C20H25N7OS/c21-3-1-4-23-16-10-15(12-22-13-16)18-14-25-20(29-18)26-19-11-17(2-5-24-19)27-6-8-28-9-7-27/h2,5,10-14,23H,1,3-4,6-9,21H2,(H,24,25,26)
InChIKeyXJKVAGFPVGIJPC-UHFFFAOYSA-N
MW411.54 g/mol
LogP2.94
Rot. Bonds8

About N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine

N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine (PubChem CID 15979745) has the molecular formula C20H25N7OS and a molecular weight of 411.54 g/mol. Its IUPAC name is N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine
PubChem CID15979745
Molecular FormulaC20H25N7OS
Molecular Weight411.54 g/mol
Exact Mass411.18
IUPAC NameN'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine
SMILESNCCCNc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C20H25N7OS/c21-3-1-4-23-16-10-15(12-22-13-16)18-14-25-20(29-18)26-19-11-17(2-5-24-19)27-6-8-28-9-7-27/h2,5,10-14,23H,1,3-4,6-9,21H2,(H,24,25,26)
InChIKeyXJKVAGFPVGIJPC-UHFFFAOYSA-N
XLogP2.94
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-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 N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine?
The IUPAC name of N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine (CID 15979745) is N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine is NCCCNc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.
What is the InChIKey of N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine?
The InChIKey is XJKVAGFPVGIJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7OS/c21-3-1-4-23-16-10-15(12-22-13-16)18-14-25-20(29-18)26-19-11-17(2-5-24-19)27-6-8-28-9-7-27/h2,5,10-14,23H,1,3-4,6-9,21H2,(H,24,25,26).
What are the key properties of N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine?
N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine has a molecular weight of 411.54 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 15979745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).