N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide

C15H8ClF2N3O2S — CID 19935023

IUPACN-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H8ClF2N3O2S/c16-7-4-5-11-10(6-7)19-15(24-11)21-14(23)20-13(22)12-8(17)2-1-3-9(12)18/h1-6H,(H2,19,20,21,22,23)
InChIKeyMIDFDYRBNLSVFA-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.19
Rot. Bonds2

About N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide

N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide (PubChem CID 19935023) has the molecular formula C15H8ClF2N3O2S and a molecular weight of 367.76 g/mol. Its IUPAC name is N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide
PubChem CID19935023
Molecular FormulaC15H8ClF2N3O2S
Molecular Weight367.76 g/mol
Exact Mass367.00
IUPAC NameN-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H8ClF2N3O2S/c16-7-4-5-11-10(6-7)19-15(24-11)21-14(23)20-13(22)12-8(17)2-1-3-9(12)18/h1-6H,(H2,19,20,21,22,23)
InChIKeyMIDFDYRBNLSVFA-UHFFFAOYSA-N
XLogP4.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-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-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 91183107
N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 134095579
N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 16764509
(E)-4-[(5-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 1389052
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
CID 834850
N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 14600655
N-(5-chloro-1,3-benzothiazol-2-yl)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 90486805
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
CID 46328625
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide
CID 43306475

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide (CID 19935023) is N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1nc2cc(Cl)ccc2s1.
What is the InChIKey of N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide?
The InChIKey is MIDFDYRBNLSVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3O2S/c16-7-4-5-11-10(6-7)19-15(24-11)21-14(23)20-13(22)12-8(17)2-1-3-9(12)18/h1-6H,(H2,19,20,21,22,23).
What are the key properties of N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide?
N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide has a molecular weight of 367.76 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 19935023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).