N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine

C20H19N5OS — CID 50963215

IUPACN-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1ccccc1-c1ncc(CNC(C)c2nc(-c3ccncc3)no2)s1
InChIInChI=1S/C20H19N5OS/c1-13-5-3-4-6-17(13)20-23-12-16(27-20)11-22-14(2)19-24-18(25-26-19)15-7-9-21-10-8-15/h3-10,12,14,22H,11H2,1-2H3
InChIKeyCJIGAXNTYAGFAL-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.41
Rot. Bonds6

About N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine

N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 50963215) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID50963215
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1ccccc1-c1ncc(CNC(C)c2nc(-c3ccncc3)no2)s1
InChIInChI=1S/C20H19N5OS/c1-13-5-3-4-6-17(13)20-23-12-16(27-20)11-22-14(2)19-24-18(25-26-19)15-7-9-21-10-8-15/h3-10,12,14,22H,11H2,1-2H3
InChIKeyCJIGAXNTYAGFAL-UHFFFAOYSA-N
XLogP4.41
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 50963215) is N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1ccccc1-c1ncc(CNC(C)c2nc(-c3ccncc3)no2)s1.
What is the InChIKey of N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is CJIGAXNTYAGFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13-5-3-4-6-17(13)20-23-12-16(27-20)11-22-14(2)19-24-18(25-26-19)15-7-9-21-10-8-15/h3-10,12,14,22H,11H2,1-2H3.
What are the key properties of N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 377.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 50963215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).