1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

C14H19N3S — CID 79748691

IUPAC1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCc1ccc(CC(N)Cc2csc(C)n2)nc1
InChIInChI=1S/C14H19N3S/c1-3-11-4-5-13(16-8-11)6-12(15)7-14-9-18-10(2)17-14/h4-5,8-9,12H,3,6-7,15H2,1-2H3
InChIKeyKCJFNCJYSYWSCZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.52
Rot. Bonds5

About 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 79748691) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID79748691
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCc1ccc(CC(N)Cc2csc(C)n2)nc1
InChIInChI=1S/C14H19N3S/c1-3-11-4-5-13(16-8-11)6-12(15)7-14-9-18-10(2)17-14/h4-5,8-9,12H,3,6-7,15H2,1-2H3
InChIKeyKCJFNCJYSYWSCZ-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-amine
CID 79748258
1-(5-ethyl-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 79748287
1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine
CID 105169001
1-(2,6-dimethyl-4-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 107503102
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55119893
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83161989
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-2-amine
CID 79178263
2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105014765
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 79748691) is 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CCc1ccc(CC(N)Cc2csc(C)n2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is KCJFNCJYSYWSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-11-4-5-13(16-8-11)6-12(15)7-14-9-18-10(2)17-14/h4-5,8-9,12H,3,6-7,15H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 79748691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).