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

C13H17N3S — CID 107504207

IUPACN-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cc(C)nc(C)c2)s1
InChIInChI=1S/C13H17N3S/c1-4-14-7-12-8-15-13(17-12)11-5-9(2)16-10(3)6-11/h5-6,8,14H,4,7H2,1-3H3
InChIKeyNCLKXHOHRCEHDD-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.93
Rot. Bonds4

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

N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 107504207) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID107504207
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cc(C)nc(C)c2)s1
InChIInChI=1S/C13H17N3S/c1-4-14-7-12-8-15-13(17-12)11-5-9(2)16-10(3)6-11/h5-6,8,14H,4,7H2,1-3H3
InChIKeyNCLKXHOHRCEHDD-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-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 107504207) is N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2cc(C)nc(C)c2)s1.
What is the InChIKey of N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is NCLKXHOHRCEHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-14-7-12-8-15-13(17-12)11-5-9(2)16-10(3)6-11/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2,6-dimethyl-4-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-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107504207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).