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

C12H21N3S — CID 63760448

IUPAC3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCCc1csc(N2CCCC2CCCN)n1
InChIInChI=1S/C12H21N3S/c1-2-10-9-16-12(14-10)15-8-4-6-11(15)5-3-7-13/h9,11H,2-8,13H2,1H3
InChIKeyARSSVTMGYDADBG-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.41
Rot. Bonds5

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

3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 63760448) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine
PubChem CID63760448
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCCc1csc(N2CCCC2CCCN)n1
InChIInChI=1S/C12H21N3S/c1-2-10-9-16-12(14-10)15-8-4-6-11(15)5-3-7-13/h9,11H,2-8,13H2,1H3
InChIKeyARSSVTMGYDADBG-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
CID 65277768
N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62960856
4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
CID 60974332
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62961398
2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine
CID 83155436
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62961582
2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole
CID 131043281
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole
CID 103198203
1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890368
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62961753
ethyl 2-[2-(2-ethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574752
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine (CID 63760448) is 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine is CCc1csc(N2CCCC2CCCN)n1.
What is the InChIKey of 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is ARSSVTMGYDADBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-10-9-16-12(14-10)15-8-4-6-11(15)5-3-7-13/h9,11H,2-8,13H2,1H3.
What are the key properties of 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 63760448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).