2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine

C13H17N3S — CID 82106871

IUPAC2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)c1sc(CCN)nc1-c1ccncc1
InChIInChI=1S/C13H17N3S/c1-9(2)13-12(10-4-7-15-8-5-10)16-11(17-13)3-6-14/h4-5,7-9H,3,6,14H2,1-2H3
InChIKeyXQNIJQATHTVYEO-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.83
Rot. Bonds4

About 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine

2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82106871) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
PubChem CID82106871
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)c1sc(CCN)nc1-c1ccncc1
InChIInChI=1S/C13H17N3S/c1-9(2)13-12(10-4-7-15-8-5-10)16-11(17-13)3-6-14/h4-5,7-9H,3,6,14H2,1-2H3
InChIKeyXQNIJQATHTVYEO-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
CID 39356102
2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
CID 82106779
2-(2-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069487
2-(chloromethyl)-4-phenyl-5-propan-2-yl-1,3-thiazole
CID 62921644
[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 39360934
(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106559
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
2-methyl-N-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62543216
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
CID 93216544
[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106774

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine (CID 82106871) is 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine is CC(C)c1sc(CCN)nc1-c1ccncc1.
What is the InChIKey of 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is XQNIJQATHTVYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(2)13-12(10-4-7-15-8-5-10)16-11(17-13)3-6-14/h4-5,7-9H,3,6,14H2,1-2H3.
What are the key properties of 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine?
2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82106871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).