(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

C18H22N2O2S — CID 136547896

IUPAC(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CC(O)CC2c2ccccc2)cs1
InChIInChI=1S/C18H22N2O2S/c1-12(2)8-17-19-15(11-23-17)18(22)20-10-14(21)9-16(20)13-6-4-3-5-7-13/h3-7,11-12,14,16,21H,8-10H2,1-2H3
InChIKeyXWBVWKAJUOIHSA-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.29
Rot. Bonds4

About (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (PubChem CID 136547896) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
PubChem CID136547896
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CC(O)CC2c2ccccc2)cs1
InChIInChI=1S/C18H22N2O2S/c1-12(2)8-17-19-15(11-23-17)18(22)20-10-14(21)9-16(20)13-6-4-3-5-7-13/h3-7,11-12,14,16,21H,8-10H2,1-2H3
InChIKeyXWBVWKAJUOIHSA-UHFFFAOYSA-N
XLogP3.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (CID 136547896) is (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is CC(C)Cc1nc(C(=O)N2CC(O)CC2c2ccccc2)cs1.
What is the InChIKey of (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is XWBVWKAJUOIHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(2)8-17-19-15(11-23-17)18(22)20-10-14(21)9-16(20)13-6-4-3-5-7-13/h3-7,11-12,14,16,21H,8-10H2,1-2H3.
What are the key properties of (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 136547896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).