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

C10H15N3OS — CID 103868198

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H15N3OS/c1-10(14)4-5-13(6-10)9-11-8(12-15-9)7-2-3-7/h7,14H,2-6H2,1H3
InChIKeyUYFDPYTZBDFRKF-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.38
Rot. Bonds2

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol (PubChem CID 103868198) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol
PubChem CID103868198
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H15N3OS/c1-10(14)4-5-13(6-10)9-11-8(12-15-9)7-2-3-7/h7,14H,2-6H2,1H3
InChIKeyUYFDPYTZBDFRKF-UHFFFAOYSA-N
XLogP1.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305755
1-(3-Propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737702
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113251658
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 133507957
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
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 65273454
1-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylbutan-2-ol
CID 65274292
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol
CID 65274712
1-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol
CID 65274773
[1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
CID 65274827
[1-(3-Propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
CID 65274828

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol (CID 103868198) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is UYFDPYTZBDFRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-10(14)4-5-13(6-10)9-11-8(12-15-9)7-2-3-7/h7,14H,2-6H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 225.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103868198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).