(1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol

C6H10N2OS — CID 139568646

IUPAC(1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol
SMILESCCc1nnc([C@H](C)O)s1
InChIInChI=1S/C6H10N2OS/c1-3-5-7-8-6(10-5)4(2)9/h4,9H,3H2,1-2H3/t4-/m0/s1
InChIKeyLDETWCGUGVMFIC-BYPYZUCNSA-N
MW158.23 g/mol
LogP1.15
Rot. Bonds2

About (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol

(1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol (PubChem CID 139568646) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol
PubChem CID139568646
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol
SMILESCCc1nnc([C@H](C)O)s1
InChIInChI=1S/C6H10N2OS/c1-3-5-7-8-6(10-5)4(2)9/h4,9H,3H2,1-2H3/t4-/m0/s1
InChIKeyLDETWCGUGVMFIC-BYPYZUCNSA-N
XLogP1.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol (CID 139568646) is (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol is CCc1nnc([C@H](C)O)s1.
What is the InChIKey of (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol?
The InChIKey is LDETWCGUGVMFIC-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-5-7-8-6(10-5)4(2)9/h4,9H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol?
(1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol has a molecular weight of 158.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol is sourced from PubChem (CID 139568646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).