3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide

C14H11ClN4OS — CID 61091396

IUPAC3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H11ClN4OS/c15-8-1-2-11-12(5-8)21-14(18-11)19-13(20)7-3-9(16)6-10(17)4-7/h1-6H,16-17H2,(H,18,19,20)
InChIKeyJPZHNKRNKYPYHH-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.37
Rot. Bonds2

About 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide

3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 61091396) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
PubChem CID61091396
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H11ClN4OS/c15-8-1-2-11-12(5-8)21-14(18-11)19-13(20)7-3-9(16)6-10(17)4-7/h1-6H,16-17H2,(H,18,19,20)
InChIKeyJPZHNKRNKYPYHH-UHFFFAOYSA-N
XLogP3.37
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide (CID 61091396) is 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide is Nc1cc(N)cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is JPZHNKRNKYPYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-8-1-2-11-12(5-8)21-14(18-11)19-13(20)7-3-9(16)6-10(17)4-7/h1-6H,16-17H2,(H,18,19,20).
What are the key properties of 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide?
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 318.79 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 61091396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).