5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole

C17H21FN2S — CID 169260178

IUPAC5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole
SMILESCc1nc(CCCc2ccccc2)sc1N1CC[C@@H](F)C1
InChIInChI=1S/C17H21FN2S/c1-13-17(20-11-10-15(18)12-20)21-16(19-13)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3/t15-/m1/s1
InChIKeySJQLEJKZZWKBSV-OAHLLOKOSA-N
MW304.43 g/mol
LogP4.18
Rot. Bonds5

About 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole

5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole (PubChem CID 169260178) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole
PubChem CID169260178
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole
SMILESCc1nc(CCCc2ccccc2)sc1N1CC[C@@H](F)C1
InChIInChI=1S/C17H21FN2S/c1-13-17(20-11-10-15(18)12-20)21-16(19-13)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3/t15-/m1/s1
InChIKeySJQLEJKZZWKBSV-OAHLLOKOSA-N
XLogP4.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole?
The IUPAC name of 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole (CID 169260178) is 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole?
The canonical SMILES for 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole is Cc1nc(CCCc2ccccc2)sc1N1CC[C@@H](F)C1.
What is the InChIKey of 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole?
The InChIKey is SJQLEJKZZWKBSV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-13-17(20-11-10-15(18)12-20)21-16(19-13)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3/t15-/m1/s1.
What are the key properties of 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole?
5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole has a molecular weight of 304.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole is sourced from PubChem (CID 169260178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).