(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

C9H13N3OS — CID 103718730

IUPAC(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C9H13N3OS/c13-7-3-4-12(5-7)9-10-8(11-14-9)6-1-2-6/h6-7,13H,1-5H2/t7-/m0/s1
InChIKeyRTIHGIUUGINIAZ-ZETCQYMHSA-N
MW211.29 g/mol
LogP0.99
Rot. Bonds2

About (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 103718730) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
PubChem CID103718730
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C9H13N3OS/c13-7-3-4-12(5-7)9-10-8(11-14-9)6-1-2-6/h6-7,13H,1-5H2/t7-/m0/s1
InChIKeyRTIHGIUUGINIAZ-ZETCQYMHSA-N
XLogP0.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 75435506
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673242
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305696
(3R)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305738
(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305739
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484238
(2S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111977001
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113251658
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 113964937
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 71860364
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
CID 65273395

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (CID 103718730) is (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is O[C@H]1CCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is RTIHGIUUGINIAZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-7-3-4-12(5-7)9-10-8(11-14-9)6-1-2-6/h6-7,13H,1-5H2/t7-/m0/s1.
What are the key properties of (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 211.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103718730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).