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

C8H14N2S — CID 46785149

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nccs1
InChIInChI=1S/C8H14N2S/c1-3-4-9-7(2)8-10-5-6-11-8/h5-7,9H,3-4H2,1-2H3
InChIKeyQZJNUSDLUALGRS-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.20
Rot. Bonds4

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

N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 46785149) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID46785149
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nccs1
InChIInChI=1S/C8H14N2S/c1-3-4-9-7(2)8-10-5-6-11-8/h5-7,9H,3-4H2,1-2H3
InChIKeyQZJNUSDLUALGRS-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine
CID 61332596
5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962103
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 65253484
N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 116680140
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 46785149) is N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(C)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is QZJNUSDLUALGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-4-9-7(2)8-10-5-6-11-8/h5-7,9H,3-4H2,1-2H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 170.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 46785149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).