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

C14H19N3S — CID 55222339

IUPACN-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(-c2cccc(C)n2)nc1C
InChIInChI=1S/C14H19N3S/c1-5-15-10(3)13-11(4)17-14(18-13)12-8-6-7-9(2)16-12/h6-8,10,15H,5H2,1-4H3
InChIKeyPBTMPGOYWRGFHB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.49
Rot. Bonds4

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

N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 55222339) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID55222339
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(-c2cccc(C)n2)nc1C
InChIInChI=1S/C14H19N3S/c1-5-15-10(3)13-11(4)17-14(18-13)12-8-6-7-9(2)16-12/h6-8,10,15H,5H2,1-4H3
InChIKeyPBTMPGOYWRGFHB-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine (CID 55222339) is N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1sc(-c2cccc(C)n2)nc1C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is PBTMPGOYWRGFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-5-15-10(3)13-11(4)17-14(18-13)12-8-6-7-9(2)16-12/h6-8,10,15H,5H2,1-4H3.
What are the key properties of N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 55222339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).