2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C15H9F3N2OS — CID 30152613

IUPAC2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2s1
InChIInChI=1S/C15H9F3N2OS/c1-7-19-11-5-2-8(6-12(11)22-7)20-15(21)9-3-4-10(16)14(18)13(9)17/h2-6H,1H3,(H,20,21)
InChIKeyUHHITFSKEITDQO-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.27
Rot. Bonds2

About 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 30152613) has the molecular formula C15H9F3N2OS and a molecular weight of 322.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID30152613
Molecular FormulaC15H9F3N2OS
Molecular Weight322.31 g/mol
Exact Mass322.04
IUPAC Name2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2s1
InChIInChI=1S/C15H9F3N2OS/c1-7-19-11-5-2-8(6-12(11)22-7)20-15(21)9-3-4-10(16)14(18)13(9)17/h2-6H,1H3,(H,20,21)
InChIKeyUHHITFSKEITDQO-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 847893
2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 79703749
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 55350812
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 30152613) is 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2s1.
What is the InChIKey of 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is UHHITFSKEITDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2OS/c1-7-19-11-5-2-8(6-12(11)22-7)20-15(21)9-3-4-10(16)14(18)13(9)17/h2-6H,1H3,(H,20,21).
What are the key properties of 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 322.31 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 30152613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).