5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole

C11H18N2S — CID 104688179

IUPAC5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1(Cc2cnc(C)s2)CCCN1
InChIInChI=1S/C11H18N2S/c1-3-11(5-4-6-13-11)7-10-8-12-9(2)14-10/h8,13H,3-7H2,1-2H3
InChIKeyTUKPLLPNBOREHM-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.53
Rot. Bonds3

About 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole

5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 104688179) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID104688179
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1(Cc2cnc(C)s2)CCCN1
InChIInChI=1S/C11H18N2S/c1-3-11(5-4-6-13-11)7-10-8-12-9(2)14-10/h8,13H,3-7H2,1-2H3
InChIKeyTUKPLLPNBOREHM-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole
CID 104688040
2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine
CID 102845951
2-[(2-ethylpyrrolidin-2-yl)methyl]-5-methylpyridine
CID 104688305
2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
CID 66468514
5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole
CID 79451564
5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111
5-ethyl-2-[(2-ethylpyrrolidin-2-yl)methyl]pyridine
CID 79748317
5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole
CID 66036030
N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
CID 63019110
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole
CID 114554671
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde
CID 131054121
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile
CID 65376598

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole (CID 104688179) is 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole is CCC1(Cc2cnc(C)s2)CCCN1.
What is the InChIKey of 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is TUKPLLPNBOREHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-11(5-4-6-13-11)7-10-8-12-9(2)14-10/h8,13H,3-7H2,1-2H3.
What are the key properties of 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole?
5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 104688179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).