1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol

C8H13N3OS — CID 164653635

IUPAC1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1csnn1)[C@H]1CCNC1
InChIInChI=1S/C8H13N3OS/c12-8(6-1-2-9-4-6)3-7-5-13-11-10-7/h5-6,8-9,12H,1-4H2/t6-,8?/m0/s1
InChIKeyDDQBZEJLDBEYBX-UUEFVBAFSA-N
MW199.28 g/mol
LogP0.05
Rot. Bonds3

About 1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol

1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol (PubChem CID 164653635) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol
PubChem CID164653635
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1csnn1)[C@H]1CCNC1
InChIInChI=1S/C8H13N3OS/c12-8(6-1-2-9-4-6)3-7-5-13-11-10-7/h5-6,8-9,12H,1-4H2/t6-,8?/m0/s1
InChIKeyDDQBZEJLDBEYBX-UUEFVBAFSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol?
The IUPAC name of 1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol (CID 164653635) is 1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol.
What is the SMILES notation for 1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol?
The canonical SMILES for 1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol is OC(Cc1csnn1)[C@H]1CCNC1.
What is the InChIKey of 1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol?
The InChIKey is DDQBZEJLDBEYBX-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H13N3OS/c12-8(6-1-2-9-4-6)3-7-5-13-11-10-7/h5-6,8-9,12H,1-4H2/t6-,8?/m0/s1.
What are the key properties of 1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol?
1-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-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-[(3S)-pyrrolidin-3-yl]-2-(thiadiazol-4-yl)ethanol is sourced from PubChem (CID 164653635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).