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

C13H17N3S — CID 79824684

IUPACN-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccncc1
InChIInChI=1S/C13H17N3S/c1-2-5-15-12(10-13-16-8-9-17-13)11-3-6-14-7-4-11/h3-4,6-9,12,15H,2,5,10H2,1H3
InChIKeyVNAAPKSAJDXKFJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.82
Rot. Bonds6

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

N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 79824684) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID79824684
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccncc1
InChIInChI=1S/C13H17N3S/c1-2-5-15-12(10-13-16-8-9-17-13)11-3-6-14-7-4-11/h3-4,6-9,12,15H,2,5,10H2,1H3
InChIKeyVNAAPKSAJDXKFJ-UHFFFAOYSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 105169159
N-[2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 81143134
N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82800945
N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 103374746
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
N-[1-(2-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 114031683
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169199
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169168
N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79823595

Frequently Asked Questions

What is the IUPAC name of N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 79824684) is N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)c1ccncc1.
What is the InChIKey of N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is VNAAPKSAJDXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-5-15-12(10-13-16-8-9-17-13)11-3-6-14-7-4-11/h3-4,6-9,12,15H,2,5,10H2,1H3.
What are the key properties of N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79824684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).