4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide

C10H8ClFN2OS — CID 26026501

IUPAC4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESO=C(NC1=NCCS1)c1ccc(Cl)cc1F
InChIInChI=1S/C10H8ClFN2OS/c11-6-1-2-7(8(12)5-6)9(15)14-10-13-3-4-16-10/h1-2,5H,3-4H2,(H,13,14,15)
InChIKeyWUDSTPAAHQQAOL-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.31
Rot. Bonds1

About 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide

4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide (PubChem CID 26026501) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
PubChem CID26026501
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESO=C(NC1=NCCS1)c1ccc(Cl)cc1F
InChIInChI=1S/C10H8ClFN2OS/c11-6-1-2-7(8(12)5-6)9(15)14-10-13-3-4-16-10/h1-2,5H,3-4H2,(H,13,14,15)
InChIKeyWUDSTPAAHQQAOL-UHFFFAOYSA-N
XLogP2.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide (CID 26026501) is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide is O=C(NC1=NCCS1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide?
The InChIKey is WUDSTPAAHQQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-6-1-2-7(8(12)5-6)9(15)14-10-13-3-4-16-10/h1-2,5H,3-4H2,(H,13,14,15).
What are the key properties of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide?
4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide has a molecular weight of 258.70 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 26026501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).