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

C14H9Cl2N3OS — CID 60635776

IUPAC2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2s1
InChIInChI=1S/C14H9Cl2N3OS/c15-9-3-2-8(6-10(9)16)18-13(20)7-1-4-11-12(5-7)21-14(17)19-11/h1-6H,(H2,17,19)(H,18,20)
InChIKeyFBKLHSJZIBYVQI-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.44
Rot. Bonds2

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

2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60635776) has the molecular formula C14H9Cl2N3OS and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60635776
Molecular FormulaC14H9Cl2N3OS
Molecular Weight338.22 g/mol
Exact Mass336.98
IUPAC Name2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2s1
InChIInChI=1S/C14H9Cl2N3OS/c15-9-3-2-8(6-10(9)16)18-13(20)7-1-4-11-12(5-7)21-14(17)19-11/h1-6H,(H2,17,19)(H,18,20)
InChIKeyFBKLHSJZIBYVQI-UHFFFAOYSA-N
XLogP4.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062
2-amino-N-(4-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 110451284
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 94675029
2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
CID 110451687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide (CID 60635776) is 2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2s1.
What is the InChIKey of 2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is FBKLHSJZIBYVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS/c15-9-3-2-8(6-10(9)16)18-13(20)7-1-4-11-12(5-7)21-14(17)19-11/h1-6H,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 338.22 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60635776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).