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

C15H17FN2O2S — CID 175657461

IUPAC(3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCc1nc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cs1
InChIInChI=1S/C15H17FN2O2S/c1-10-17-12(9-21-10)6-18-7-14(19)15(8-18)20-13-4-2-3-11(16)5-13/h2-5,9,14-15,19H,6-8H2,1H3/t14-,15-/m1/s1
InChIKeyZWMBGTHNBMWAEX-HUUCEWRRSA-N
MW308.38 g/mol
LogP2.21
Rot. Bonds4

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

(3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 175657461) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID175657461
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name(3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCc1nc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cs1
InChIInChI=1S/C15H17FN2O2S/c1-10-17-12(9-21-10)6-18-7-14(19)15(8-18)20-13-4-2-3-11(16)5-13/h2-5,9,14-15,19H,6-8H2,1H3/t14-,15-/m1/s1
InChIKeyZWMBGTHNBMWAEX-HUUCEWRRSA-N
XLogP2.21
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 175654918
1-[(3aS,4R,6aR)-4-(3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;formic acid
CID 171708007
N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718310
(3S,4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135107162
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 109475922
4-[[4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 77097298
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466
N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 110133078
(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373990
4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871248
2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 78886785

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol (CID 175657461) is (3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol is Cc1nc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cs1.
What is the InChIKey of (3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is ZWMBGTHNBMWAEX-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-17-12(9-21-10)6-18-7-14(19)15(8-18)20-13-4-2-3-11(16)5-13/h2-5,9,14-15,19H,6-8H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
(3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 308.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-fluorophenoxy)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 175657461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).