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

C13H17N3S — CID 63553848

IUPACN-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cccc(C)n2)nc1C
InChIInChI=1S/C13H17N3S/c1-4-14-8-12-10(3)16-13(17-12)11-7-5-6-9(2)15-11/h5-7,14H,4,8H2,1-3H3
InChIKeyFVHXSCJRMDCGNV-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.93
Rot. Bonds4

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

N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 63553848) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID63553848
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cccc(C)n2)nc1C
InChIInChI=1S/C13H17N3S/c1-4-14-8-12-10(3)16-13(17-12)11-7-5-6-9(2)15-11/h5-7,14H,4,8H2,1-3H3
InChIKeyFVHXSCJRMDCGNV-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 63553848) is N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2cccc(C)n2)nc1C.
What is the InChIKey of N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is FVHXSCJRMDCGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-14-8-12-10(3)16-13(17-12)11-7-5-6-9(2)15-11/h5-7,14H,4,8H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63553848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).