[4-(chloromethyl)thiadiazol-5-yl]methanol

C4H5ClN2OS — CID 55298465

IUPAC[4-(chloromethyl)thiadiazol-5-yl]methanol
SMILESOCc1snnc1CCl
InChIInChI=1S/C4H5ClN2OS/c5-1-3-4(2-8)9-7-6-3/h8H,1-2H2
InChIKeyMVZRQFYSUCUFJE-UHFFFAOYSA-N
MW164.62 g/mol
LogP0.77
Rot. Bonds2

About [4-(chloromethyl)thiadiazol-5-yl]methanol

[4-(chloromethyl)thiadiazol-5-yl]methanol (PubChem CID 55298465) has the molecular formula C4H5ClN2OS and a molecular weight of 164.62 g/mol. Its IUPAC name is [4-(chloromethyl)thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)thiadiazol-5-yl]methanol
PubChem CID55298465
Molecular FormulaC4H5ClN2OS
Molecular Weight164.62 g/mol
Exact Mass163.98
IUPAC Name[4-(chloromethyl)thiadiazol-5-yl]methanol
SMILESOCc1snnc1CCl
InChIInChI=1S/C4H5ClN2OS/c5-1-3-4(2-8)9-7-6-3/h8H,1-2H2
InChIKeyMVZRQFYSUCUFJE-UHFFFAOYSA-N
XLogP0.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.62
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)thiadiazol-5-yl]methanol?
The IUPAC name of [4-(chloromethyl)thiadiazol-5-yl]methanol (CID 55298465) is [4-(chloromethyl)thiadiazol-5-yl]methanol.
What is the SMILES notation for [4-(chloromethyl)thiadiazol-5-yl]methanol?
The canonical SMILES for [4-(chloromethyl)thiadiazol-5-yl]methanol is OCc1snnc1CCl.
What is the InChIKey of [4-(chloromethyl)thiadiazol-5-yl]methanol?
The InChIKey is MVZRQFYSUCUFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2OS/c5-1-3-4(2-8)9-7-6-3/h8H,1-2H2.
What are the key properties of [4-(chloromethyl)thiadiazol-5-yl]methanol?
[4-(chloromethyl)thiadiazol-5-yl]methanol has a molecular weight of 164.62 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)thiadiazol-5-yl]methanol is sourced from PubChem (CID 55298465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).