3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine

C12H21N3S — CID 62977540

IUPAC3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine
SMILESCCc1nc(C2(NC)CCN(C)C2)sc1C
InChIInChI=1S/C12H21N3S/c1-5-10-9(2)16-11(14-10)12(13-3)6-7-15(4)8-12/h13H,5-8H2,1-4H3
InChIKeyVQRYBWUGPLHHER-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.76
Rot. Bonds3

About 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine

3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine (PubChem CID 62977540) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine
PubChem CID62977540
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine
SMILESCCc1nc(C2(NC)CCN(C)C2)sc1C
InChIInChI=1S/C12H21N3S/c1-5-10-9(2)16-11(14-10)12(13-3)6-7-15(4)8-12/h13H,5-8H2,1-4H3
InChIKeyVQRYBWUGPLHHER-UHFFFAOYSA-N
XLogP1.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 62977359
4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methyl-N-propylpiperidin-4-amine
CID 61336145
N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine
CID 61334084
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332758
N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine
CID 61330052
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine
CID 106873373
N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65077498
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclobutan-1-amine
CID 61334037
1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine
CID 65078039
N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine
CID 61332756
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 62543138
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429501

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine (CID 62977540) is 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine is CCc1nc(C2(NC)CCN(C)C2)sc1C.
What is the InChIKey of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is VQRYBWUGPLHHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-10-9(2)16-11(14-10)12(13-3)6-7-15(4)8-12/h13H,5-8H2,1-4H3.
What are the key properties of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine?
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 239.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 62977540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).