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

C17H18N4S — CID 75505274

IUPACN-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCC(c1ccccn1)N(C)Cc1cnc(-c2cccnc2)s1
InChIInChI=1S/C17H18N4S/c1-13(16-7-3-4-9-19-16)21(2)12-15-11-20-17(22-15)14-6-5-8-18-10-14/h3-11,13H,12H2,1-2H3
InChIKeyAYOOZIIJVRNMPG-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.79
Rot. Bonds5

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

N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 75505274) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID75505274
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC NameN-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCC(c1ccccn1)N(C)Cc1cnc(-c2cccnc2)s1
InChIInChI=1S/C17H18N4S/c1-13(16-7-3-4-9-19-16)21(2)12-15-11-20-17(22-15)14-6-5-8-18-10-14/h3-11,13H,12H2,1-2H3
InChIKeyAYOOZIIJVRNMPG-UHFFFAOYSA-N
XLogP3.79
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine (CID 75505274) is N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine is CC(c1ccccn1)N(C)Cc1cnc(-c2cccnc2)s1.
What is the InChIKey of N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is AYOOZIIJVRNMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-13(16-7-3-4-9-19-16)21(2)12-15-11-20-17(22-15)14-6-5-8-18-10-14/h3-11,13H,12H2,1-2H3.
What are the key properties of N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine?
N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 310.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 75505274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).