N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine

C29H41N9OS — CID 59145049

IUPACN-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCN1CCN(c2cc(N3CCN(CCCN4CCOCC4)CC3)cc(Nc3ncc(-c4ccncc4)s3)n2)CC1
InChIInChI=1S/C29H41N9OS/c1-34-9-13-38(14-10-34)28-22-25(37-15-11-35(12-16-37)7-2-8-36-17-19-39-20-18-36)21-27(32-28)33-29-31-23-26(40-29)24-3-5-30-6-4-24/h3-6,21-23H,2,7-20H2,1H3,(H,31,32,33)
InChIKeyJKVGNZFBMVEFDM-UHFFFAOYSA-N
MW563.78 g/mol
LogP2.94
Rot. Bonds9

About N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine

N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 59145049) has the molecular formula C29H41N9OS and a molecular weight of 563.78 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID59145049
Molecular FormulaC29H41N9OS
Molecular Weight563.78 g/mol
Exact Mass563.32
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCN1CCN(c2cc(N3CCN(CCCN4CCOCC4)CC3)cc(Nc3ncc(-c4ccncc4)s3)n2)CC1
InChIInChI=1S/C29H41N9OS/c1-34-9-13-38(14-10-34)28-22-25(37-15-11-35(12-16-37)7-2-8-36-17-19-39-20-18-36)21-27(32-28)33-29-31-23-26(40-29)24-3-5-30-6-4-24/h3-6,21-23H,2,7-20H2,1H3,(H,31,32,33)
InChIKeyJKVGNZFBMVEFDM-UHFFFAOYSA-N
XLogP2.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine (CID 59145049) is N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine is CN1CCN(c2cc(N3CCN(CCCN4CCOCC4)CC3)cc(Nc3ncc(-c4ccncc4)s3)n2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is JKVGNZFBMVEFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N9OS/c1-34-9-13-38(14-10-34)28-22-25(37-15-11-35(12-16-37)7-2-8-36-17-19-39-20-18-36)21-27(32-28)33-29-31-23-26(40-29)24-3-5-30-6-4-24/h3-6,21-23H,2,7-20H2,1H3,(H,31,32,33).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 563.78 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 59145049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).