2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole

C6H7ClN2S — CID 2757679

IUPAC2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole
SMILESClCc1nnc(C2CC2)s1
InChIInChI=1S/C6H7ClN2S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3H2
InChIKeyVDUGMUQOYNINHU-UHFFFAOYSA-N
MW174.66 g/mol
LogP2.15
Rot. Bonds2

About 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole

2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole (PubChem CID 2757679) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole
PubChem CID2757679
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole
SMILESClCc1nnc(C2CC2)s1
InChIInChI=1S/C6H7ClN2S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3H2
InChIKeyVDUGMUQOYNINHU-UHFFFAOYSA-N
XLogP2.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole?
The IUPAC name of 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole (CID 2757679) is 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole is ClCc1nnc(C2CC2)s1.
What is the InChIKey of 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole?
The InChIKey is VDUGMUQOYNINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3H2.
What are the key properties of 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole?
2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole has a molecular weight of 174.66 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole is sourced from PubChem (CID 2757679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).