N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide

C16H12F2N2OS — CID 30797487

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
SMILESCCN(C(=O)c1c(F)cccc1F)c1nc2ccccc2s1
InChIInChI=1S/C16H12F2N2OS/c1-2-20(15(21)14-10(17)6-5-7-11(14)18)16-19-12-8-3-4-9-13(12)22-16/h3-9H,2H2,1H3
InChIKeyKRJHTDQOKCDLRX-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.24
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide (PubChem CID 30797487) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
PubChem CID30797487
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
SMILESCCN(C(=O)c1c(F)cccc1F)c1nc2ccccc2s1
InChIInChI=1S/C16H12F2N2OS/c1-2-20(15(21)14-10(17)6-5-7-11(14)18)16-19-12-8-3-4-9-13(12)22-16/h3-9H,2H2,1H3
InChIKeyKRJHTDQOKCDLRX-UHFFFAOYSA-N
XLogP4.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 6487729
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 7294762
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
CID 43022086
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 34191800
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-fluorobenzamide
CID 7294738
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
CID 41016571
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide (CID 30797487) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide is CCN(C(=O)c1c(F)cccc1F)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide?
The InChIKey is KRJHTDQOKCDLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c1-2-20(15(21)14-10(17)6-5-7-11(14)18)16-19-12-8-3-4-9-13(12)22-16/h3-9H,2H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide has a molecular weight of 318.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide is sourced from PubChem (CID 30797487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).