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

C17H22N2S — CID 95339542

IUPAC4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CN2CC[C@H](c3ccccc3)C2)cs1
InChIInChI=1S/C17H22N2S/c1-13(2)17-18-16(12-20-17)11-19-9-8-15(10-19)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m0/s1
InChIKeyONRIUGIEGUMONQ-HNNXBMFYSA-N
MW286.44 g/mol
LogP4.26
Rot. Bonds4

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

4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 95339542) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
PubChem CID95339542
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CN2CC[C@H](c3ccccc3)C2)cs1
InChIInChI=1S/C17H22N2S/c1-13(2)17-18-16(12-20-17)11-19-9-8-15(10-19)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m0/s1
InChIKeyONRIUGIEGUMONQ-HNNXBMFYSA-N
XLogP4.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95338960
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 55169627
N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
N'-methyl-3-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111723011
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94381346
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63905100
(7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one
CID 95581131
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
CID 61487353

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole (CID 95339542) is 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(CN2CC[C@H](c3ccccc3)C2)cs1.
What is the InChIKey of 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is ONRIUGIEGUMONQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13(2)17-18-16(12-20-17)11-19-9-8-15(10-19)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole?
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 286.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 95339542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).