N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine

C12H15N3S — CID 64542865

IUPACN-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(C)c1csc(-c2cccnc2)n1
InChIInChI=1S/C12H15N3S/c1-3-14-9(2)11-8-16-12(15-11)10-5-4-6-13-7-10/h4-9,14H,3H2,1-2H3
InChIKeyPBBYFXGVFBULEK-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.88
Rot. Bonds4

About N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine

N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 64542865) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID64542865
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(C)c1csc(-c2cccnc2)n1
InChIInChI=1S/C12H15N3S/c1-3-14-9(2)11-8-16-12(15-11)10-5-4-6-13-7-10/h4-9,14H,3H2,1-2H3
InChIKeyPBBYFXGVFBULEK-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine (CID 64542865) is N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine is CCNC(C)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is PBBYFXGVFBULEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-14-9(2)11-8-16-12(15-11)10-5-4-6-13-7-10/h4-9,14H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine?
N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 64542865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).