N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide

C14H4F6N2OS — CID 99285585

IUPACN-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C14H4F6N2OS/c15-5-2-8-9(3-6(5)16)24-14(21-8)22-13(23)4-1-7(17)11(19)12(20)10(4)18/h1-3H,(H,21,22,23)
InChIKeyCDVBSUFSHBBKID-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.38
Rot. Bonds2

About N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide (PubChem CID 99285585) has the molecular formula C14H4F6N2OS and a molecular weight of 362.25 g/mol. Its IUPAC name is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
PubChem CID99285585
Molecular FormulaC14H4F6N2OS
Molecular Weight362.25 g/mol
Exact Mass361.99
IUPAC NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C14H4F6N2OS/c15-5-2-8-9(3-6(5)16)24-14(21-8)22-13(23)4-1-7(17)11(19)12(20)10(4)18/h1-3H,(H,21,22,23)
InChIKeyCDVBSUFSHBBKID-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.38
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

2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119308986
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 47086370
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide
CID 141404415
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120790634
N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide
CID 88547492

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide (CID 99285585) is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide is O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide?
The InChIKey is CDVBSUFSHBBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F6N2OS/c15-5-2-8-9(3-6(5)16)24-14(21-8)22-13(23)4-1-7(17)11(19)12(20)10(4)18/h1-3H,(H,21,22,23).
What are the key properties of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide?
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide has a molecular weight of 362.25 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 99285585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).