5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine

C20H24N6OS — CID 15980475

IUPAC5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESNCCCc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C20H24N6OS/c21-4-1-2-15-10-16(13-22-12-15)18-14-24-20(28-18)25-19-11-17(3-5-23-19)26-6-8-27-9-7-26/h3,5,10-14H,1-2,4,6-9,21H2,(H,23,24,25)
InChIKeyYCMLKWGLPBDWLG-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.07
Rot. Bonds7

About 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine

5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 15980475) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID15980475
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESNCCCc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C20H24N6OS/c21-4-1-2-15-10-16(13-22-12-15)18-14-24-20(28-18)25-19-11-17(3-5-23-19)26-6-8-27-9-7-26/h3,5,10-14H,1-2,4,6-9,21H2,(H,23,24,25)
InChIKeyYCMLKWGLPBDWLG-UHFFFAOYSA-N
XLogP3.07
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 15980475) is 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine is NCCCc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.
What is the InChIKey of 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is YCMLKWGLPBDWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c21-4-1-2-15-10-16(13-22-12-15)18-14-24-20(28-18)25-19-11-17(3-5-23-19)26-6-8-27-9-7-26/h3,5,10-14H,1-2,4,6-9,21H2,(H,23,24,25).
What are the key properties of 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 396.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15980475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).