4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine

C26H39N5OS — CID 143340727

IUPAC4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCc2nccs2)c1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C16H24N4OS.C8H9N.C2H6/c1-3-7-20(8-4-2)13-11-14(17)19-15(12-13)21-9-5-16-18-6-10-22-16;1-7-3-2-4-8(5-7)6-9;1-2/h6,10-12H,3-5,7-9H2,1-2H3,(H2,17,19);2-6,9H,1H3;1-2H3/b;9-6+;
InChIKeyYZKYYANPWPSAGW-YJXWIHHLSA-N
MW469.70 g/mol
LogP6.39
Rot. Bonds10

About 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine

4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine (PubChem CID 143340727) has the molecular formula C26H39N5OS and a molecular weight of 469.70 g/mol. Its IUPAC name is 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine.

Molecular Properties

Compound Name4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
PubChem CID143340727
Molecular FormulaC26H39N5OS
Molecular Weight469.70 g/mol
Exact Mass469.29
IUPAC Name4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCc2nccs2)c1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C16H24N4OS.C8H9N.C2H6/c1-3-7-20(8-4-2)13-11-14(17)19-15(12-13)21-9-5-16-18-6-10-22-16;1-7-3-2-4-8(5-7)6-9;1-2/h6,10-12H,3-5,7-9H2,1-2H3,(H2,17,19);2-6,9H,1H3;1-2H3/b;9-6+;
InChIKeyYZKYYANPWPSAGW-YJXWIHHLSA-N
XLogP6.39
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.70
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143341441
4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340651
4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143450334
ethane;3-methanimidoyl-N-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341036
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450300
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450233
ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341673
6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341509
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The IUPAC name of 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine (CID 143340727) is 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine.
What is the SMILES notation for 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The canonical SMILES for 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine is CC.CCCN(CCC)c1cc(N)nc(OCCc2nccs2)c1.[H]/N=C/c1cccc(C)c1.
What is the InChIKey of 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The InChIKey is YZKYYANPWPSAGW-YJXWIHHLSA-N. The full InChI is InChI=1S/C16H24N4OS.C8H9N.C2H6/c1-3-7-20(8-4-2)13-11-14(17)19-15(12-13)21-9-5-16-18-6-10-22-16;1-7-3-2-4-8(5-7)6-9;1-2/h6,10-12H,3-5,7-9H2,1-2H3,(H2,17,19);2-6,9H,1H3;1-2H3/b;9-6+;.
What are the key properties of 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine has a molecular weight of 469.70 g/mol, XLogP of 6.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine is sourced from PubChem (CID 143340727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).