N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine

C26H23N5S2 — CID 24971388

IUPACN-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nccs4)cc3)nc2n1
InChIInChI=1S/C26H23N5S2/c1-32-26-29-17-21-15-22(19-5-3-2-4-6-19)24(30-25(21)31-26)20-9-7-18(8-10-20)16-27-12-11-23-28-13-14-33-23/h2-10,13-15,17,27H,11-12,16H2,1H3
InChIKeyZKGZBXPPWINVIJ-UHFFFAOYSA-N
MW469.64 g/mol
LogP5.87
Rot. Bonds8

About N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 24971388) has the molecular formula C26H23N5S2 and a molecular weight of 469.64 g/mol. Its IUPAC name is N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID24971388
Molecular FormulaC26H23N5S2
Molecular Weight469.64 g/mol
Exact Mass469.14
IUPAC NameN-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nccs4)cc3)nc2n1
InChIInChI=1S/C26H23N5S2/c1-32-26-29-17-21-15-22(19-5-3-2-4-6-19)24(30-25(21)31-26)20-9-7-18(8-10-20)16-27-12-11-23-28-13-14-33-23/h2-10,13-15,17,27H,11-12,16H2,1H3
InChIKeyZKGZBXPPWINVIJ-UHFFFAOYSA-N
XLogP5.87
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.64
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Timegadine
CID 68902
5-{2-[({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amino]ethyl}-1,3,4-thiadiazol-2-amine
CID 11225497
5-[1-({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 11540975
[2-(1H-imidazol-4-yl)ethyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 11712132
6-Methyl-N5-(3-(6-(methylamino)pyrimidin-4-yl)pyridin-2-yl)-N1-(2-methylbenzo[d]thiazol-5-yl)isoquinoline-1,5-diamine
CID 24863500
[3-(1H-imidazol-1-yl)propyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 24971390
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
5,6-Bis-(3-fluoro-4-methyl-phenyl)-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11224573
5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11234357
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(pyridin-3-yl)ethyl]amine
CID 24971389
[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 24971392

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 24971388) is N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nccs4)cc3)nc2n1.
What is the InChIKey of N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZKGZBXPPWINVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5S2/c1-32-26-29-17-21-15-22(19-5-3-2-4-6-19)24(30-25(21)31-26)20-9-7-18(8-10-20)16-27-12-11-23-28-13-14-33-23/h2-10,13-15,17,27H,11-12,16H2,1H3.
What are the key properties of N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 469.64 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 24971388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).