N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide

C14H8Cl2N2OS — CID 2821813

IUPACN-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc2ncsc2c1
InChIInChI=1S/C14H8Cl2N2OS/c15-9-2-4-11(10(16)6-9)18-14(19)8-1-3-12-13(5-8)20-7-17-12/h1-7H,(H,18,19)
InChIKeyCTIBXQWRSHKCSZ-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.86
Rot. Bonds2

About N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide

N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2821813) has the molecular formula C14H8Cl2N2OS and a molecular weight of 323.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID2821813
Molecular FormulaC14H8Cl2N2OS
Molecular Weight323.20 g/mol
Exact Mass321.97
IUPAC NameN-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc2ncsc2c1
InChIInChI=1S/C14H8Cl2N2OS/c15-9-2-4-11(10(16)6-9)18-14(19)8-1-3-12-13(5-8)20-7-17-12/h1-7H,(H,18,19)
InChIKeyCTIBXQWRSHKCSZ-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712463
N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712465
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092996
N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide
CID 2093795
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 2096442
N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2738140
1,3-Benzothiazol-6-yl(piperidin-1-yl)methanone
CID 6710452
N-methyl-1,3-benzothiazole-6-carboxamide
CID 22103788
N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-methylbenzamide
CID 16033330
N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712467

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide (CID 2821813) is N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccc2ncsc2c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is CTIBXQWRSHKCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS/c15-9-2-4-11(10(16)6-9)18-14(19)8-1-3-12-13(5-8)20-7-17-12/h1-7H,(H,18,19).
What are the key properties of N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide?
N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 323.20 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2821813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).