(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol

C17H22N2OS — CID 100859490

IUPAC(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCc1nc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)cs1
InChIInChI=1S/C17H22N2OS/c1-13-18-15(12-21-13)11-19-9-5-8-16(19)10-17(20)14-6-3-2-4-7-14/h2-4,6-7,12,16-17,20H,5,8-11H2,1H3/t16-,17-/m1/s1
InChIKeyDOXMMUZVJAHWGG-IAGOWNOFSA-N
MW302.44 g/mol
LogP3.54
Rot. Bonds5

About (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol

(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol (PubChem CID 100859490) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
PubChem CID100859490
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCc1nc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)cs1
InChIInChI=1S/C17H22N2OS/c1-13-18-15(12-21-13)11-19-9-5-8-16(19)10-17(20)14-6-3-2-4-7-14/h2-4,6-7,12,16-17,20H,5,8-11H2,1H3/t16-,17-/m1/s1
InChIKeyDOXMMUZVJAHWGG-IAGOWNOFSA-N
XLogP3.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol with MolForge

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Related Compounds

2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 71869510
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321893
2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
CID 111490186
1-phenyl-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]ethanol
CID 111490240
methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62026007
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338946
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 119033917
5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 125136210

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol (CID 100859490) is (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol is Cc1nc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)cs1.
What is the InChIKey of (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is DOXMMUZVJAHWGG-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-18-15(12-21-13)11-19-9-5-8-16(19)10-17(20)14-6-3-2-4-7-14/h2-4,6-7,12,16-17,20H,5,8-11H2,1H3/t16-,17-/m1/s1.
What are the key properties of (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 302.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 100859490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).