N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine

C24H32N7OS+ — CID 59145062

IUPACN-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1cc(-c2cnc(Nc3cc(N4CC[NH+](CCCN5CCOCC5)CC4)ccn3)s2)ccn1
InChIInChI=1S/C24H31N7OS/c1(9-30-14-16-32-17-15-30)8-29-10-12-31(13-11-29)21-4-7-26-23(18-21)28-24-27-19-22(33-24)20-2-5-25-6-3-20/h2-7,18-19H,1,8-17H2,(H,26,27,28)/p+1
InChIKeyAFEJSIJFFVOLCM-UHFFFAOYSA-O
MW466.64 g/mol
LogP1.77
Rot. Bonds8

About N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine

N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 59145062) has the molecular formula C24H32N7OS+ and a molecular weight of 466.64 g/mol. Its IUPAC name is N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID59145062
Molecular FormulaC24H32N7OS+
Molecular Weight466.64 g/mol
Exact Mass466.24
IUPAC NameN-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1cc(-c2cnc(Nc3cc(N4CC[NH+](CCCN5CCOCC5)CC4)ccn3)s2)ccn1
InChIInChI=1S/C24H31N7OS/c1(9-30-14-16-32-17-15-30)8-29-10-12-31(13-11-29)21-4-7-26-23(18-21)28-24-27-19-22(33-24)20-2-5-25-6-3-20/h2-7,18-19H,1,8-17H2,(H,26,27,28)/p+1
InChIKeyAFEJSIJFFVOLCM-UHFFFAOYSA-O
XLogP1.77
TPSA70.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.64
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(2-Aminoethyl)-5-(2-{[4-(Morpholin-4-Yl)pyridin-2-Yl]amino}-1,3-Thiazol-5-Yl)pyridine-3-Carboxamide
CID 15980109
N-(1,3-Thiazol-2-yl)pyridin-2-amine 17
CID 5329330
1-(Morpholin-4-Yl)-2-[4-(2-{[5-(Pyridin-3-Yl)-1,3-Thiazol-2-Yl]amino}pyridin-4-Yl)piperazin-1-Yl]ethanone
CID 56932125
N-[2-(methylamino)ethyl]-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980347
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355931
5-[[5-(5-methyl-1,3-thiazol-2-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 162645943
[4-[2-[(5-Pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol
CID 15978890
2-[[2-[(5-Pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol
CID 15978891
N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 15978893
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894
N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 15979015
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979020

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine (CID 59145062) is N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine is c1cc(-c2cnc(Nc3cc(N4CC[NH+](CCCN5CCOCC5)CC4)ccn3)s2)ccn1.
What is the InChIKey of N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is AFEJSIJFFVOLCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H31N7OS/c1(9-30-14-16-32-17-15-30)8-29-10-12-31(13-11-29)21-4-7-26-23(18-21)28-24-27-19-22(33-24)20-2-5-25-6-3-20/h2-7,18-19H,1,8-17H2,(H,26,27,28)/p+1.
What are the key properties of N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 466.64 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 59145062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).