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

C17H22N2S — CID 95338888

IUPAC4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CN2CC[C@H](c3ccccc3)C2)cs1
InChIInChI=1S/C17H22N2S/c1-2-6-17-18-16(13-20-17)12-19-10-9-15(11-19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3/t15-/m0/s1
InChIKeyYIQRLQSFKQBQNL-HNNXBMFYSA-N
MW286.44 g/mol
LogP4.09
Rot. Bonds5

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

4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole (PubChem CID 95338888) 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-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
PubChem CID95338888
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CN2CC[C@H](c3ccccc3)C2)cs1
InChIInChI=1S/C17H22N2S/c1-2-6-17-18-16(13-20-17)12-19-10-9-15(11-19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3/t15-/m0/s1
InChIKeyYIQRLQSFKQBQNL-HNNXBMFYSA-N
XLogP4.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole?
The IUPAC name of 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole (CID 95338888) is 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole is CCCc1nc(CN2CC[C@H](c3ccccc3)C2)cs1.
What is the InChIKey of 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole?
The InChIKey is YIQRLQSFKQBQNL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-6-17-18-16(13-20-17)12-19-10-9-15(11-19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3/t15-/m0/s1.
What are the key properties of 4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole?
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole has a molecular weight of 286.44 g/mol, XLogP of 4.09, 5 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-propyl-1,3-thiazole is sourced from PubChem (CID 95338888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).