1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine

C13H17N3S — CID 82741103

IUPAC1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCc1cccnc1-c1ncc(C(C)NC)s1
InChIInChI=1S/C13H17N3S/c1-4-10-6-5-7-15-12(10)13-16-8-11(17-13)9(2)14-3/h5-9,14H,4H2,1-3H3
InChIKeyLBNUWIAIRFIQJL-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 82741103) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID82741103
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCc1cccnc1-c1ncc(C(C)NC)s1
InChIInChI=1S/C13H17N3S/c1-4-10-6-5-7-15-12(10)13-16-8-11(17-13)9(2)14-3/h5-9,14H,4H2,1-3H3
InChIKeyLBNUWIAIRFIQJL-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 82741103) is 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine is CCc1cccnc1-c1ncc(C(C)NC)s1.
What is the InChIKey of 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is LBNUWIAIRFIQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-10-6-5-7-15-12(10)13-16-8-11(17-13)9(2)14-3/h5-9,14H,4H2,1-3H3.
What are the key properties of 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 247.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 82741103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).