4-chloro-5-(3-chloropropyl)-1,3-thiazole

C6H7Cl2NS — CID 165443548

IUPAC4-chloro-5-(3-chloropropyl)-1,3-thiazole
SMILESClCCCc1scnc1Cl
InChIInChI=1S/C6H7Cl2NS/c7-3-1-2-5-6(8)9-4-10-5/h4H,1-3H2
InChIKeyRAKRGTFRTGTZIV-UHFFFAOYSA-N
MW196.10 g/mol
LogP2.97
Rot. Bonds3

About 4-chloro-5-(3-chloropropyl)-1,3-thiazole

4-chloro-5-(3-chloropropyl)-1,3-thiazole (PubChem CID 165443548) has the molecular formula C6H7Cl2NS and a molecular weight of 196.10 g/mol. Its IUPAC name is 4-chloro-5-(3-chloropropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(3-chloropropyl)-1,3-thiazole
PubChem CID165443548
Molecular FormulaC6H7Cl2NS
Molecular Weight196.10 g/mol
Exact Mass194.97
IUPAC Name4-chloro-5-(3-chloropropyl)-1,3-thiazole
SMILESClCCCc1scnc1Cl
InChIInChI=1S/C6H7Cl2NS/c7-3-1-2-5-6(8)9-4-10-5/h4H,1-3H2
InChIKeyRAKRGTFRTGTZIV-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.97
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-(3-chloropropyl)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(3-chloropropyl)-1,3-thiazole (CID 165443548) is 4-chloro-5-(3-chloropropyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(3-chloropropyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(3-chloropropyl)-1,3-thiazole is ClCCCc1scnc1Cl.
What is the InChIKey of 4-chloro-5-(3-chloropropyl)-1,3-thiazole?
The InChIKey is RAKRGTFRTGTZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2NS/c7-3-1-2-5-6(8)9-4-10-5/h4H,1-3H2.
What are the key properties of 4-chloro-5-(3-chloropropyl)-1,3-thiazole?
4-chloro-5-(3-chloropropyl)-1,3-thiazole has a molecular weight of 196.10 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloropropyl)-1,3-thiazole is sourced from PubChem (CID 165443548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).