2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C15H9ClF2N2OS — CID 2701477

IUPAC2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2c1
InChIInChI=1S/C15H9ClF2N2OS/c1-7-2-3-12-13(4-7)22-15(19-12)20-14(21)8-5-10(17)11(18)6-9(8)16/h2-6H,1H3,(H,19,20,21)
InChIKeyCRTADXOPRYGFNJ-UHFFFAOYSA-N
MW338.77 g/mol
LogP4.79
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2701477) has the molecular formula C15H9ClF2N2OS and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID2701477
Molecular FormulaC15H9ClF2N2OS
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2c1
InChIInChI=1S/C15H9ClF2N2OS/c1-7-2-3-12-13(4-7)22-15(19-12)20-14(21)8-5-10(17)11(18)6-9(8)16/h2-6H,1H3,(H,19,20,21)
InChIKeyCRTADXOPRYGFNJ-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
2-chloro-4,5-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 847893
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 108789697
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19479289
2-chloro-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methylbenzamide
CID 1396408
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19475855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 2701477) is 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2c1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is CRTADXOPRYGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2OS/c1-7-2-3-12-13(4-7)22-15(19-12)20-14(21)8-5-10(17)11(18)6-9(8)16/h2-6H,1H3,(H,19,20,21).
What are the key properties of 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 338.77 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2701477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).