N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine

C24H22N4S — CID 145324737

IUPACN-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine
SMILESC=C(NCc1cnc(-c2ccnc(C)c2)c(C)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H22N4S/c1-16-11-19(14-27-23(16)21-9-10-25-17(2)12-21)13-26-18(3)24-28-22(15-29-24)20-7-5-4-6-8-20/h4-12,14-15,26H,3,13H2,1-2H3
InChIKeyFWBJMSMSRQPYEY-UHFFFAOYSA-N
MW398.54 g/mol
LogP5.64
Rot. Bonds6

About N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine

N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine (PubChem CID 145324737) has the molecular formula C24H22N4S and a molecular weight of 398.54 g/mol. Its IUPAC name is N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine.

Molecular Properties

Compound NameN-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine
PubChem CID145324737
Molecular FormulaC24H22N4S
Molecular Weight398.54 g/mol
Exact Mass398.16
IUPAC NameN-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine
SMILESC=C(NCc1cnc(-c2ccnc(C)c2)c(C)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H22N4S/c1-16-11-19(14-27-23(16)21-9-10-25-17(2)12-21)13-26-18(3)24-28-22(15-29-24)20-7-5-4-6-8-20/h4-12,14-15,26H,3,13H2,1-2H3
InChIKeyFWBJMSMSRQPYEY-UHFFFAOYSA-N
XLogP5.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine?
The IUPAC name of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine (CID 145324737) is N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine.
What is the SMILES notation for N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine?
The canonical SMILES for N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine is C=C(NCc1cnc(-c2ccnc(C)c2)c(C)c1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine?
The InChIKey is FWBJMSMSRQPYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4S/c1-16-11-19(14-27-23(16)21-9-10-25-17(2)12-21)13-26-18(3)24-28-22(15-29-24)20-7-5-4-6-8-20/h4-12,14-15,26H,3,13H2,1-2H3.
What are the key properties of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine?
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine has a molecular weight of 398.54 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine is sourced from PubChem (CID 145324737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).