N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide

C14H4ClF5N2OS — CID 5136272

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H4ClF5N2OS/c15-4-1-2-5-6(3-4)24-14(21-5)22-13(23)7-8(16)10(18)12(20)11(19)9(7)17/h1-3H,(H,21,22,23)
InChIKeyGLWVTWKCOIBXAD-UHFFFAOYSA-N
MW378.71 g/mol
LogP4.90
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 5136272) has the molecular formula C14H4ClF5N2OS and a molecular weight of 378.71 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID5136272
Molecular FormulaC14H4ClF5N2OS
Molecular Weight378.71 g/mol
Exact Mass377.97
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H4ClF5N2OS/c15-4-1-2-5-6(3-4)24-14(21-5)22-13(23)7-8(16)10(18)12(20)11(19)9(7)17/h1-3H,(H,21,22,23)
InChIKeyGLWVTWKCOIBXAD-UHFFFAOYSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.71
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43952268
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide (CID 5136272) is N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is GLWVTWKCOIBXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4ClF5N2OS/c15-4-1-2-5-6(3-4)24-14(21-5)22-13(23)7-8(16)10(18)12(20)11(19)9(7)17/h1-3H,(H,21,22,23).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 378.71 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 5136272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).