2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide

C10H5ClF2N2OS — CID 676665

IUPAC2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C10H5ClF2N2OS/c11-6-4-8(13)7(12)3-5(6)9(16)15-10-14-1-2-17-10/h1-4H,(H,14,15,16)
InChIKeyZCEYDGPBMQFAEZ-UHFFFAOYSA-N
MW274.68 g/mol
LogP3.33
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide

2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 676665) has the molecular formula C10H5ClF2N2OS and a molecular weight of 274.68 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID676665
Molecular FormulaC10H5ClF2N2OS
Molecular Weight274.68 g/mol
Exact Mass273.98
IUPAC Name2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C10H5ClF2N2OS/c11-6-4-8(13)7(12)3-5(6)9(16)15-10-14-1-2-17-10/h1-4H,(H,14,15,16)
InChIKeyZCEYDGPBMQFAEZ-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide (CID 676665) is 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZCEYDGPBMQFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2OS/c11-6-4-8(13)7(12)3-5(6)9(16)15-10-14-1-2-17-10/h1-4H,(H,14,15,16).
What are the key properties of 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide?
2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 274.68 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 676665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).