2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide

C10H6ClFN2OS — CID 4875965

IUPAC2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1c(F)cccc1Cl
InChIInChI=1S/C10H6ClFN2OS/c11-6-2-1-3-7(12)8(6)9(15)14-10-13-4-5-16-10/h1-5H,(H,13,14,15)
InChIKeyPVUWGFGTNJHUBQ-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.19
Rot. Bonds2

About 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide

2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 4875965) has the molecular formula C10H6ClFN2OS and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID4875965
Molecular FormulaC10H6ClFN2OS
Molecular Weight256.69 g/mol
Exact Mass255.99
IUPAC Name2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1c(F)cccc1Cl
InChIInChI=1S/C10H6ClFN2OS/c11-6-2-1-3-7(12)8(6)9(15)14-10-13-4-5-16-10/h1-5H,(H,13,14,15)
InChIKeyPVUWGFGTNJHUBQ-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide (CID 4875965) is 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is PVUWGFGTNJHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2OS/c11-6-2-1-3-7(12)8(6)9(15)14-10-13-4-5-16-10/h1-5H,(H,13,14,15).
What are the key properties of 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide?
2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 256.69 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4875965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).