N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide

C16H13FN2OS — CID 735318

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
SMILESCc1ccc2sc(NC(=O)c3ccccc3F)nc2c1C
InChIInChI=1S/C16H13FN2OS/c1-9-7-8-13-14(10(9)2)18-16(21-13)19-15(20)11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeyXRDCYNPSOPZPNM-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.30
Rot. Bonds2

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide (PubChem CID 735318) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
PubChem CID735318
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
SMILESCc1ccc2sc(NC(=O)c3ccccc3F)nc2c1C
InChIInChI=1S/C16H13FN2OS/c1-9-7-8-13-14(10(9)2)18-16(21-13)19-15(20)11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeyXRDCYNPSOPZPNM-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
2,6-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 35591092
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848795
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597284

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide (CID 735318) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide is Cc1ccc2sc(NC(=O)c3ccccc3F)nc2c1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
The InChIKey is XRDCYNPSOPZPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-9-7-8-13-14(10(9)2)18-16(21-13)19-15(20)11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide has a molecular weight of 300.36 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 735318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).