N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

C14H19N3S — CID 114031215

IUPACN-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1cnc(C)s1
InChIInChI=1S/C14H19N3S/c1-4-15-13(14-9-17-11(3)18-14)8-12-10(2)6-5-7-16-12/h5-7,9,13,15H,4,8H2,1-3H3
InChIKeyUVRCBMIPJXXQMB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.05
Rot. Bonds5

About N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 114031215) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID114031215
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1cnc(C)s1
InChIInChI=1S/C14H19N3S/c1-4-15-13(14-9-17-11(3)18-14)8-12-10(2)6-5-7-16-12/h5-7,9,13,15H,4,8H2,1-3H3
InChIKeyUVRCBMIPJXXQMB-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 114031215) is N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is CCNC(Cc1ncccc1C)c1cnc(C)s1.
What is the InChIKey of N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is UVRCBMIPJXXQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-15-13(14-9-17-11(3)18-14)8-12-10(2)6-5-7-16-12/h5-7,9,13,15H,4,8H2,1-3H3.
What are the key properties of N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114031215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).