N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine

C8H12N2S — CID 46784254

IUPACN-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1cscn1
InChIInChI=1S/C8H12N2S/c1-6(10-7-2-3-7)8-4-11-5-9-8/h4-7,10H,2-3H2,1H3
InChIKeyBOQZXKUGYPHZNE-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.96
Rot. Bonds3

About N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine

N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine (PubChem CID 46784254) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
PubChem CID46784254
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameN-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1cscn1
InChIInChI=1S/C8H12N2S/c1-6(10-7-2-3-7)8-4-11-5-9-8/h4-7,10H,2-3H2,1H3
InChIKeyBOQZXKUGYPHZNE-UHFFFAOYSA-N
XLogP1.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 115879066
[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
CID 103881440
3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 104584851
1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115878917
1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine
CID 115879255
2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine
CID 103907272
1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 115879382
2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 115891364
N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 115879016
(1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine
CID 164651955
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine (CID 46784254) is N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine is CC(NC1CC1)c1cscn1.
What is the InChIKey of N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine?
The InChIKey is BOQZXKUGYPHZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6(10-7-2-3-7)8-4-11-5-9-8/h4-7,10H,2-3H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine?
N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine has a molecular weight of 168.26 g/mol, XLogP of 1.96, 3 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-4-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 46784254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).