N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide

C16H11ClFN3O2S — CID 55769791

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3F)cc2s1
InChIInChI=1S/C16H11ClFN3O2S/c1-8(22)19-16-21-13-5-3-10(7-14(13)24-16)20-15(23)11-6-9(17)2-4-12(11)18/h2-7H,1H3,(H,20,23)(H,19,21,22)
InChIKeyYZBNPFWVWLYCID-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.30
Rot. Bonds3

About N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide (PubChem CID 55769791) has the molecular formula C16H11ClFN3O2S and a molecular weight of 363.80 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
PubChem CID55769791
Molecular FormulaC16H11ClFN3O2S
Molecular Weight363.80 g/mol
Exact Mass363.02
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3F)cc2s1
InChIInChI=1S/C16H11ClFN3O2S/c1-8(22)19-16-21-13-5-3-10(7-14(13)24-16)20-15(23)11-6-9(17)2-4-12(11)18/h2-7H,1H3,(H,20,23)(H,19,21,22)
InChIKeyYZBNPFWVWLYCID-UHFFFAOYSA-N
XLogP4.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1010853
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
CID 46328625
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
CID 60557428
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
CID 55769726
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
2-chloro-4,5-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 847893
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide (CID 55769791) is N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide is CC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3F)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide?
The InChIKey is YZBNPFWVWLYCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2S/c1-8(22)19-16-21-13-5-3-10(7-14(13)24-16)20-15(23)11-6-9(17)2-4-12(11)18/h2-7H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide has a molecular weight of 363.80 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 55769791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).