N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide

C15H7ClFN3OS — CID 953858

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)c(F)c1
InChIInChI=1S/C15H7ClFN3OS/c16-10-2-1-3-12-13(10)19-15(22-12)20-14(21)9-5-4-8(7-18)6-11(9)17/h1-6H,(H,19,20,21)
InChIKeyIHSXJBGXJSHZGA-UHFFFAOYSA-N
MW331.76 g/mol
LogP4.21
Rot. Bonds2

About N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide

N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide (PubChem CID 953858) has the molecular formula C15H7ClFN3OS and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide
PubChem CID953858
Molecular FormulaC15H7ClFN3OS
Molecular Weight331.76 g/mol
Exact Mass331.00
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)c(F)c1
InChIInChI=1S/C15H7ClFN3OS/c16-10-2-1-3-12-13(10)19-15(22-12)20-14(21)9-5-4-8(7-18)6-11(9)17/h1-6H,(H,19,20,21)
InChIKeyIHSXJBGXJSHZGA-UHFFFAOYSA-N
XLogP4.21
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3575126
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028941
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
CID 2301869
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 953877
3-chloro-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4642924
N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
CID 7105594
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide (CID 953858) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide is N#Cc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)c(F)c1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide?
The InChIKey is IHSXJBGXJSHZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClFN3OS/c16-10-2-1-3-12-13(10)19-15(22-12)20-14(21)9-5-4-8(7-18)6-11(9)17/h1-6H,(H,19,20,21).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide has a molecular weight of 331.76 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide is sourced from PubChem (CID 953858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).