2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine

C11H19N3S — CID 114802425

IUPAC2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
SMILESCCc1csc(N2CCC(CCN)C2)n1
InChIInChI=1S/C11H19N3S/c1-2-10-8-15-11(13-10)14-6-4-9(7-14)3-5-12/h8-9H,2-7,12H2,1H3
InChIKeyJANSITXNKPNLGV-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.88
Rot. Bonds4

About 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine

2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 114802425) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
PubChem CID114802425
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
SMILESCCc1csc(N2CCC(CCN)C2)n1
InChIInChI=1S/C11H19N3S/c1-2-10-8-15-11(13-10)14-6-4-9(7-14)3-5-12/h8-9H,2-7,12H2,1H3
InChIKeyJANSITXNKPNLGV-UHFFFAOYSA-N
XLogP1.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine
CID 64581632
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754
1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553166
2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 154839168
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 24698861
N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 63253107
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540672

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine (CID 114802425) is 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine is CCc1csc(N2CCC(CCN)C2)n1.
What is the InChIKey of 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is JANSITXNKPNLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-10-8-15-11(13-10)14-6-4-9(7-14)3-5-12/h8-9H,2-7,12H2,1H3.
What are the key properties of 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine?
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).