N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide

C14H8Cl3N3OS — CID 50881064

IUPACN-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide
SMILESNc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)c(Cl)c2s1
InChIInChI=1S/C14H8Cl3N3OS/c15-7-3-1-6(2-4-7)13(21)19-9-5-8(16)11-12(10(9)17)22-14(18)20-11/h1-5H,(H2,18,20)(H,19,21)
InChIKeyFNFDTPZRWKRDDT-UHFFFAOYSA-N
MW372.66 g/mol
LogP5.09
Rot. Bonds2

About N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide

N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide (PubChem CID 50881064) has the molecular formula C14H8Cl3N3OS and a molecular weight of 372.66 g/mol. Its IUPAC name is N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide
PubChem CID50881064
Molecular FormulaC14H8Cl3N3OS
Molecular Weight372.66 g/mol
Exact Mass370.95
IUPAC NameN-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide
SMILESNc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)c(Cl)c2s1
InChIInChI=1S/C14H8Cl3N3OS/c15-7-3-1-6(2-4-7)13(21)19-9-5-8(16)11-12(10(9)17)22-14(18)20-11/h1-5H,(H2,18,20)(H,19,21)
InChIKeyFNFDTPZRWKRDDT-UHFFFAOYSA-N
XLogP5.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.66
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide?
The IUPAC name of N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide (CID 50881064) is N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide?
The canonical SMILES for N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide is Nc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)c(Cl)c2s1.
What is the InChIKey of N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide?
The InChIKey is FNFDTPZRWKRDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3OS/c15-7-3-1-6(2-4-7)13(21)19-9-5-8(16)11-12(10(9)17)22-14(18)20-11/h1-5H,(H2,18,20)(H,19,21).
What are the key properties of N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide?
N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide has a molecular weight of 372.66 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)-4-chlorobenzamide is sourced from PubChem (CID 50881064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).