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

C13H17N3S — CID 82431765

IUPAC1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1nc(-c2ccncc2)sc1C(C)N
InChIInChI=1S/C13H17N3S/c1-3-4-11-12(9(2)14)17-13(16-11)10-5-7-15-8-6-10/h5-9H,3-4,14H2,1-2H3
InChIKeyZPVLWUDHJSEYOO-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.18
Rot. Bonds4

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

1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 82431765) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID82431765
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1nc(-c2ccncc2)sc1C(C)N
InChIInChI=1S/C13H17N3S/c1-3-4-11-12(9(2)14)17-13(16-11)10-5-7-15-8-6-10/h5-9H,3-4,14H2,1-2H3
InChIKeyZPVLWUDHJSEYOO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol
CID 82542113
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82430113
1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
CID 82432458
1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82432080
1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82431677
4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 70479920
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
CID 70910859
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431731
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280917
4-butyl-2-phenyl-1,3-thiazol-5-amine
CID 62077156
1-[2-[(4-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82433019

Frequently Asked Questions

What is the IUPAC name of 1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine (CID 82431765) is 1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine is CCCc1nc(-c2ccncc2)sc1C(C)N.
What is the InChIKey of 1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is ZPVLWUDHJSEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-4-11-12(9(2)14)17-13(16-11)10-5-7-15-8-6-10/h5-9H,3-4,14H2,1-2H3.
What are the key properties of 1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine?
1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 247.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82431765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).