2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole

C16H20N2S — CID 134050920

IUPAC2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCCc1nc(CN2CCCC2c2ccccc2)cs1
InChIInChI=1S/C16H20N2S/c1-2-16-17-14(12-19-16)11-18-10-6-9-15(18)13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-11H2,1H3
InChIKeySSAOHHQOZPZFPU-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.04
Rot. Bonds4

About 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole

2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole (PubChem CID 134050920) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole
PubChem CID134050920
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCCc1nc(CN2CCCC2c2ccccc2)cs1
InChIInChI=1S/C16H20N2S/c1-2-16-17-14(12-19-16)11-18-10-6-9-15(18)13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-11H2,1H3
InChIKeySSAOHHQOZPZFPU-UHFFFAOYSA-N
XLogP4.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 134001184
2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95338960
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338946
4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 95322878
2-ethyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120910725
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol
CID 75405830
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
1-ethyl-2-phenylazepane
CID 59678181
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-[(3S)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 96997094

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole (CID 134050920) is 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole is CCc1nc(CN2CCCC2c2ccccc2)cs1.
What is the InChIKey of 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is SSAOHHQOZPZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-16-17-14(12-19-16)11-18-10-6-9-15(18)13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-11H2,1H3.
What are the key properties of 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole?
2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 272.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 134050920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).