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

C5H8N2OS — CID 102537415

IUPAC(5-ethyl-1,3,4-thiadiazol-2-yl)methanol
SMILESCCc1nnc(CO)s1
InChIInChI=1S/C5H8N2OS/c1-2-4-6-7-5(3-8)9-4/h8H,2-3H2,1H3
InChIKeyOYZNJEVCIPDIME-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.59
Rot. Bonds2

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

(5-ethyl-1,3,4-thiadiazol-2-yl)methanol (PubChem CID 102537415) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is (5-ethyl-1,3,4-thiadiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-1,3,4-thiadiazol-2-yl)methanol
PubChem CID102537415
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name(5-ethyl-1,3,4-thiadiazol-2-yl)methanol
SMILESCCc1nnc(CO)s1
InChIInChI=1S/C5H8N2OS/c1-2-4-6-7-5(3-8)9-4/h8H,2-3H2,1H3
InChIKeyOYZNJEVCIPDIME-UHFFFAOYSA-N
XLogP0.59
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-thiadiazol-2-yl)methanol?
The IUPAC name of (5-ethyl-1,3,4-thiadiazol-2-yl)methanol (CID 102537415) is (5-ethyl-1,3,4-thiadiazol-2-yl)methanol.
What is the SMILES notation for (5-ethyl-1,3,4-thiadiazol-2-yl)methanol?
The canonical SMILES for (5-ethyl-1,3,4-thiadiazol-2-yl)methanol is CCc1nnc(CO)s1.
What is the InChIKey of (5-ethyl-1,3,4-thiadiazol-2-yl)methanol?
The InChIKey is OYZNJEVCIPDIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-2-4-6-7-5(3-8)9-4/h8H,2-3H2,1H3.
What are the key properties of (5-ethyl-1,3,4-thiadiazol-2-yl)methanol?
(5-ethyl-1,3,4-thiadiazol-2-yl)methanol has a molecular weight of 144.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-thiadiazol-2-yl)methanol is sourced from PubChem (CID 102537415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).