4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole

C10H14ClF2NOS — CID 103146517

IUPAC4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)COCCc1nc(CCCCl)cs1
InChIInChI=1S/C10H14ClF2NOS/c11-4-1-2-8-7-16-10(14-8)3-5-15-6-9(12)13/h7,9H,1-6H2
InChIKeyVXYLWLBUOXUUDA-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.14
Rot. Bonds8

About 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole

4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole (PubChem CID 103146517) has the molecular formula C10H14ClF2NOS and a molecular weight of 269.74 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
PubChem CID103146517
Molecular FormulaC10H14ClF2NOS
Molecular Weight269.74 g/mol
Exact Mass269.05
IUPAC Name4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)COCCc1nc(CCCCl)cs1
InChIInChI=1S/C10H14ClF2NOS/c11-4-1-2-8-7-16-10(14-8)3-5-15-6-9(12)13/h7,9H,1-6H2
InChIKeyVXYLWLBUOXUUDA-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole (CID 103146517) is 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole is FC(F)COCCc1nc(CCCCl)cs1.
What is the InChIKey of 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
The InChIKey is VXYLWLBUOXUUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2NOS/c11-4-1-2-8-7-16-10(14-8)3-5-15-6-9(12)13/h7,9H,1-6H2.
What are the key properties of 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole has a molecular weight of 269.74 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 103146517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).