[(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol

C16H20N2OS — CID 110921363

IUPAC[(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1nc(-c2ccccc2)sc1CN1CCC[C@@H]1CO
InChIInChI=1S/C16H20N2OS/c1-12-15(10-18-9-5-8-14(18)11-19)20-16(17-12)13-6-3-2-4-7-13/h2-4,6-7,14,19H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyACPNZKLEJAEFCA-CQSZACIVSA-N
MW288.42 g/mol
LogP3.08
Rot. Bonds4

About [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 110921363) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID110921363
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1nc(-c2ccccc2)sc1CN1CCC[C@@H]1CO
InChIInChI=1S/C16H20N2OS/c1-12-15(10-18-9-5-8-14(18)11-19)20-16(17-12)13-6-3-2-4-7-13/h2-4,6-7,14,19H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyACPNZKLEJAEFCA-CQSZACIVSA-N
XLogP3.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 111442430
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
CID 110328829
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82032323
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119649171
[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 110909353
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 103885778
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol (CID 110921363) is [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol is Cc1nc(-c2ccccc2)sc1CN1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ACPNZKLEJAEFCA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-15(10-18-9-5-8-14(18)11-19)20-16(17-12)13-6-3-2-4-7-13/h2-4,6-7,14,19H,5,8-11H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 288.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 110921363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).