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

C12H19FN2OS — CID 170950945

IUPAC[2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C[C@H]2CCN(CCCF)C2)s1
InChIInChI=1S/C12H19FN2OS/c13-3-1-4-15-5-2-10(8-15)6-12-14-7-11(9-16)17-12/h7,10,16H,1-6,8-9H2/t10-/m1/s1
InChIKeyFXVIJSADTKVTFP-SNVBAGLBSA-N
MW258.36 g/mol
LogP1.86
Rot. Bonds6

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

[2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 170950945) has the molecular formula C12H19FN2OS and a molecular weight of 258.36 g/mol. Its IUPAC name is [2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
PubChem CID170950945
Molecular FormulaC12H19FN2OS
Molecular Weight258.36 g/mol
Exact Mass258.12
IUPAC Name[2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C[C@H]2CCN(CCCF)C2)s1
InChIInChI=1S/C12H19FN2OS/c13-3-1-4-15-5-2-10(8-15)6-12-14-7-11(9-16)17-12/h7,10,16H,1-6,8-9H2/t10-/m1/s1
InChIKeyFXVIJSADTKVTFP-SNVBAGLBSA-N
XLogP1.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Isopropylthiazol-5-yl)methanol
CID 10820831
4-Fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 154126466
[2-[[1-(3-Fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950808
[2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950909
[2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950938
2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole
CID 178480384
2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole
CID 178480392
[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]methanol
CID 79964867
3-[(2-Cyclopentyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 109931994
3-[(2-Cyclobutyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 109932057
[2-(4-Fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methanol
CID 175265109
5-Hydroxymethyl-2-(2-methylpropyl)thiazole
CID 21085977

Frequently Asked Questions

What is the IUPAC name of [2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol (CID 170950945) is [2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol is OCc1cnc(C[C@H]2CCN(CCCF)C2)s1.
What is the InChIKey of [2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is FXVIJSADTKVTFP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19FN2OS/c13-3-1-4-15-5-2-10(8-15)6-12-14-7-11(9-16)17-12/h7,10,16H,1-6,8-9H2/t10-/m1/s1.
What are the key properties of [2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol?
[2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 258.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 170950945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).