1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol

C8H13N3OS — CID 164650172

IUPAC1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cnsn1)C1CCNC1
InChIInChI=1S/C8H13N3OS/c12-8(6-1-2-9-4-6)3-7-5-10-13-11-7/h5-6,8-9,12H,1-4H2
InChIKeyNTMZSEBAKYOXDA-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.05
Rot. Bonds3

About 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol

1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol (PubChem CID 164650172) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol
PubChem CID164650172
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cnsn1)C1CCNC1
InChIInChI=1S/C8H13N3OS/c12-8(6-1-2-9-4-6)3-7-5-10-13-11-7/h5-6,8-9,12H,1-4H2
InChIKeyNTMZSEBAKYOXDA-UHFFFAOYSA-N
XLogP0.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohex-3-en-1-yl-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815266
2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 130815238
1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol
CID 164653635
1-[(3R)-pyrrolidin-3-yl]-2-thiophen-2-ylethanol
CID 164654563
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
CID 55287714
1-piperidin-3-yl-2-pyridin-2-ylethanol
CID 80560318
3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole
CID 130942600
2-(furan-2-yl)-1-[(3R)-pyrrolidin-3-yl]ethanol
CID 164662141
2-cyclopropyl-1-[(3R)-pyrrolidin-3-yl]ethanol
CID 164654555
2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol
CID 164653633
2-(4-fluorophenyl)-1-piperidin-3-ylethanol
CID 71683765
2-(4-ethylphenyl)-1-piperidin-3-ylethanol
CID 79019336

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol?
The IUPAC name of 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol (CID 164650172) is 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol?
The canonical SMILES for 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol is OC(Cc1cnsn1)C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol?
The InChIKey is NTMZSEBAKYOXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c12-8(6-1-2-9-4-6)3-7-5-10-13-11-7/h5-6,8-9,12H,1-4H2.
What are the key properties of 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol?
1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol has a molecular weight of 199.28 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 164650172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).