N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide

C10H5ClF4N2OS — CID 102979078

IUPACN-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1c(Cl)ccc2scnc12)C(F)(F)C(F)F
InChIInChI=1S/C10H5ClF4N2OS/c11-4-1-2-5-7(16-3-19-5)6(4)17-9(18)10(14,15)8(12)13/h1-3,8H,(H,17,18)
InChIKeyRTUQYLNNJCYRSW-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.79
Rot. Bonds3

About N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide

N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 102979078) has the molecular formula C10H5ClF4N2OS and a molecular weight of 312.68 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID102979078
Molecular FormulaC10H5ClF4N2OS
Molecular Weight312.68 g/mol
Exact Mass311.97
IUPAC NameN-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1c(Cl)ccc2scnc12)C(F)(F)C(F)F
InChIInChI=1S/C10H5ClF4N2OS/c11-4-1-2-5-7(16-3-19-5)6(4)17-9(18)10(14,15)8(12)13/h1-3,8H,(H,17,18)
InChIKeyRTUQYLNNJCYRSW-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide (CID 102979078) is N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide is O=C(Nc1c(Cl)ccc2scnc12)C(F)(F)C(F)F.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is RTUQYLNNJCYRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF4N2OS/c11-4-1-2-5-7(16-3-19-5)6(4)17-9(18)10(14,15)8(12)13/h1-3,8H,(H,17,18).
What are the key properties of N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide?
N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 312.68 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-4-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 102979078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).