4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole

C7H9ClN2S — CID 130550089

IUPAC4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole
SMILESClCC1(Cc2csnn2)CC1
InChIInChI=1S/C7H9ClN2S/c8-5-7(1-2-7)3-6-4-11-10-9-6/h4H,1-3,5H2
InChIKeyHMUPSHYOJOGADP-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.10
Rot. Bonds3

About 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole

4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole (PubChem CID 130550089) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole.

Molecular Properties

Compound Name4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole
PubChem CID130550089
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole
SMILESClCC1(Cc2csnn2)CC1
InChIInChI=1S/C7H9ClN2S/c8-5-7(1-2-7)3-6-4-11-10-9-6/h4H,1-3,5H2
InChIKeyHMUPSHYOJOGADP-UHFFFAOYSA-N
XLogP2.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.10
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 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole?
The IUPAC name of 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole (CID 130550089) is 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole.
What is the SMILES notation for 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole?
The canonical SMILES for 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole is ClCC1(Cc2csnn2)CC1.
What is the InChIKey of 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole?
The InChIKey is HMUPSHYOJOGADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c8-5-7(1-2-7)3-6-4-11-10-9-6/h4H,1-3,5H2.
What are the key properties of 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole?
4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole has a molecular weight of 188.68 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(chloromethyl)cyclopropyl]methyl]thiadiazole is sourced from PubChem (CID 130550089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).