(S)-1-(thiazol-2-yl)pyrrolidin-3-ol

C7H10N2OS — CID 53797653

IUPAC(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESC1CN(C[C@H]1O)C2=NC=CS2
InChIInChI=1S/C7H10N2OS/c10-6-1-3-9(5-6)7-8-2-4-11-7/h2,4,6,10H,1,3,5H2/t6-/m0/s1
InChIKeyFGDKZPWIKHNPNN-LURJTMIESA-N
MW170.23 g/mol
LogP0.90
Rot. Bonds1

About (S)-1-(thiazol-2-yl)pyrrolidin-3-ol

(S)-1-(thiazol-2-yl)pyrrolidin-3-ol (PubChem CID 53797653) has the molecular formula C7H10N2OS and a molecular weight of 170.23 g/mol. Its IUPAC name is (3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(S)-1-(thiazol-2-yl)pyrrolidin-3-ol
PubChem CID53797653
Molecular FormulaC7H10N2OS
Molecular Weight170.23 g/mol
Exact Mass170.05
IUPAC Name(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESC1CN(C[C@H]1O)C2=NC=CS2
InChIInChI=1S/C7H10N2OS/c10-6-1-3-9(5-6)7-8-2-4-11-7/h2,4,6,10H,1,3,5H2/t6-/m0/s1
InChIKeyFGDKZPWIKHNPNN-LURJTMIESA-N
XLogP0.90
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyrrolidin-1-yl)thiazole
CID 2513533
(3R*,4R*)-3-isopropyl-4-methyl-1-(1,3-thiazol-2-yl)-3-pyrrolidinol
CID 133123338
Tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium
CID 123791014
1,1,1-Trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 63899579
2-[2,2-Difluoroethyl(1,3-thiazol-2-yl)amino]ethanol
CID 107484179
2-[1,3-Thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473
3-Fluoro-1-(1,3-thiazol-2-yl)piperidin-4-ol
CID 129997686
(3R,4R)-3-fluoro-1-(1,3-thiazol-2-yl)piperidin-4-ol
CID 133679780
2-[7-(1,3-Thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol
CID 97472802
2-[Methyl(1,3-thiazol-2-yl)amino]ethanol
CID 10080635
(1-(Thiazol-2-yl)pyrrolidin-2-yl)methanol
CID 19013442
3-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]propane-1,2-diol
CID 20031994

Frequently Asked Questions

What is the IUPAC name of (S)-1-(thiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of (S)-1-(thiazol-2-yl)pyrrolidin-3-ol (CID 53797653) is (3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (S)-1-(thiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (S)-1-(thiazol-2-yl)pyrrolidin-3-ol is C1CN(C[C@H]1O)C2=NC=CS2.
What is the InChIKey of (S)-1-(thiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is FGDKZPWIKHNPNN-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2OS/c10-6-1-3-9(5-6)7-8-2-4-11-7/h2,4,6,10H,1,3,5H2/t6-/m0/s1.
What are the key properties of (S)-1-(thiazol-2-yl)pyrrolidin-3-ol?
(S)-1-(thiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 170.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1-(thiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 53797653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).