4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole

C8H9Cl2NS — CID 165446603

IUPAC4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole
SMILESClCC1(Cc2scnc2Cl)CC1
InChIInChI=1S/C8H9Cl2NS/c9-4-8(1-2-8)3-6-7(10)11-5-12-6/h5H,1-4H2
InChIKeyUZKCEYLVWHBOBT-UHFFFAOYSA-N
MW222.14 g/mol
LogP3.36
Rot. Bonds3

About 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole

4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole (PubChem CID 165446603) has the molecular formula C8H9Cl2NS and a molecular weight of 222.14 g/mol. Its IUPAC name is 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole
PubChem CID165446603
Molecular FormulaC8H9Cl2NS
Molecular Weight222.14 g/mol
Exact Mass220.98
IUPAC Name4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole
SMILESClCC1(Cc2scnc2Cl)CC1
InChIInChI=1S/C8H9Cl2NS/c9-4-8(1-2-8)3-6-7(10)11-5-12-6/h5H,1-4H2
InChIKeyUZKCEYLVWHBOBT-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole?
The IUPAC name of 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole (CID 165446603) is 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole?
The canonical SMILES for 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole is ClCC1(Cc2scnc2Cl)CC1.
What is the InChIKey of 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole?
The InChIKey is UZKCEYLVWHBOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NS/c9-4-8(1-2-8)3-6-7(10)11-5-12-6/h5H,1-4H2.
What are the key properties of 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole?
4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole has a molecular weight of 222.14 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-thiazole is sourced from PubChem (CID 165446603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).