1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

C10H14F3N3OS — CID 112737702

IUPAC1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCCCc1nsc(N2CCC(O)(C(F)(F)F)C2)n1
InChIInChI=1S/C10H14F3N3OS/c1-2-3-7-14-8(18-15-7)16-5-4-9(17,6-16)10(11,12)13/h17H,2-6H2,1H3
InChIKeyIKHFSUGIWIELGF-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.99
Rot. Bonds3

About 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737702) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737702
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCCCc1nsc(N2CCC(O)(C(F)(F)F)C2)n1
InChIInChI=1S/C10H14F3N3OS/c1-2-3-7-14-8(18-15-7)16-5-4-9(17,6-16)10(11,12)13/h17H,2-6H2,1H3
InChIKeyIKHFSUGIWIELGF-UHFFFAOYSA-N
XLogP1.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737702) is 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is CCCc1nsc(N2CCC(O)(C(F)(F)F)C2)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is IKHFSUGIWIELGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-2-3-7-14-8(18-15-7)16-5-4-9(17,6-16)10(11,12)13/h17H,2-6H2,1H3.
What are the key properties of 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 281.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).