2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol

C18H24N2OS — CID 99576883

IUPAC2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCc1ccc(-c2nc(CN3CCC[C@@H]3C(C)(C)O)cs2)cc1
InChIInChI=1S/C18H24N2OS/c1-13-6-8-14(9-7-13)17-19-15(12-22-17)11-20-10-4-5-16(20)18(2,3)21/h6-9,12,16,21H,4-5,10-11H2,1-3H3/t16-/m1/s1
InChIKeySLQGKRUGIJXZCA-MRXNPFEDSA-N
MW316.47 g/mol
LogP3.85
Rot. Bonds4

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

2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 99576883) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID99576883
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCc1ccc(-c2nc(CN3CCC[C@@H]3C(C)(C)O)cs2)cc1
InChIInChI=1S/C18H24N2OS/c1-13-6-8-14(9-7-13)17-19-15(12-22-17)11-20-10-4-5-16(20)18(2,3)21/h6-9,12,16,21H,4-5,10-11H2,1-3H3/t16-/m1/s1
InChIKeySLQGKRUGIJXZCA-MRXNPFEDSA-N
XLogP3.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227
2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 110009559
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62734410
2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 97325868
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423
6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122084145
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722
4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 56574565
[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062365
(2R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 94014669

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol (CID 99576883) is 2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol is Cc1ccc(-c2nc(CN3CCC[C@@H]3C(C)(C)O)cs2)cc1.
What is the InChIKey of 2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is SLQGKRUGIJXZCA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-13-6-8-14(9-7-13)17-19-15(12-22-17)11-20-10-4-5-16(20)18(2,3)21/h6-9,12,16,21H,4-5,10-11H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol?
2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 316.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 99576883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).