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

C14H13N5OS — CID 815525

IUPAC3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2nc3ccc(N)cc3s2)c1
InChIInChI=1S/C14H13N5OS/c15-8-1-2-11-12(6-8)21-14(18-11)19-13(20)7-3-9(16)5-10(17)4-7/h1-6H,15-17H2,(H,18,19,20)
InChIKeyYWFIEQQIWHRTBT-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.30
Rot. Bonds2

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

3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide (PubChem CID 815525) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
PubChem CID815525
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2nc3ccc(N)cc3s2)c1
InChIInChI=1S/C14H13N5OS/c15-8-1-2-11-12(6-8)21-14(18-11)19-13(20)7-3-9(16)5-10(17)4-7/h1-6H,15-17H2,(H,18,19,20)
InChIKeyYWFIEQQIWHRTBT-UHFFFAOYSA-N
XLogP2.30
TPSA120.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
CID 107959275
N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 28742337
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65237523
4-amino-N-[6-[[2-[(4-aminobenzoyl)amino]-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]benzamide
CID 4205104
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide (CID 815525) is 3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide is Nc1cc(N)cc(C(=O)Nc2nc3ccc(N)cc3s2)c1.
What is the InChIKey of 3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is YWFIEQQIWHRTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c15-8-1-2-11-12(6-8)21-14(18-11)19-13(20)7-3-9(16)5-10(17)4-7/h1-6H,15-17H2,(H,18,19,20).
What are the key properties of 3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide?
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 299.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 815525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).