2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole

C₅H₄ClF₂NS — CID 155822051

About 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole

2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole (PubChem CID 155822051) has the molecular formula C₅H₄ClF₂NS and a molecular weight of 183.61 g/mol. Its IUPAC name is 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole
• PubChem CID: 155822051
• Molecular Formula: C₅H₄ClF₂NS
• Molecular Weight: 183.61 g/mol
• Exact Mass: 182.97
• IUPAC Name: 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole
• SMILES: CC(F)(F)c1cnc(Cl)s1
• InChI: InChI=1S/C5H4ClF2NS/c1-5(7,8)3-2-9-4(6)10-3/h2H,1H3
• InChIKey: HYBHQMGWMPFPRW-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 12.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.61
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole?

The IUPAC name of 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole (CID 155822051) is 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole.

What is the SMILES notation for 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole?

The canonical SMILES for 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole is CC(F)(F)c1cnc(Cl)s1.

What is the InChIKey of 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole?

The InChIKey is HYBHQMGWMPFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2NS/c1-5(7,8)3-2-9-4(6)10-3/h2H,1H3.

What are the key properties of 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole?

2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole has a molecular weight of 183.61 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole is sourced from PubChem (CID 155822051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155822051 — identifiers, structure, computed properties (public domain)

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