N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine

C13H17N3S — CID 82103288

IUPACN-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C13H17N3S/c1-10(2)15-8-5-13-16-12(9-17-13)11-3-6-14-7-4-11/h3-4,6-7,9-10,15H,5,8H2,1-2H3
InChIKeyAYGHVYPVCDQVDL-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine

N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 82103288) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID82103288
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C13H17N3S/c1-10(2)15-8-5-13-16-12(9-17-13)11-3-6-14-7-4-11/h3-4,6-7,9-10,15H,5,8H2,1-2H3
InChIKeyAYGHVYPVCDQVDL-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588
N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 116968382
N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine
CID 82103460
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968932
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
ethyl 2-oxo-2-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]acetate
CID 110317808
3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81022146

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 82103288) is N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine is CC(C)NCCc1nc(-c2ccncc2)cs1.
What is the InChIKey of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is AYGHVYPVCDQVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(2)15-8-5-13-16-12(9-17-13)11-3-6-14-7-4-11/h3-4,6-7,9-10,15H,5,8H2,1-2H3.
What are the key properties of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82103288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).