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

C14H12N4OS — CID 61092934

IUPAC3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2nc3ccccc3s2)c1
InChIInChI=1S/C14H12N4OS/c15-9-5-8(6-10(16)7-9)13(19)18-14-17-11-3-1-2-4-12(11)20-14/h1-7H,15-16H2,(H,17,18,19)
InChIKeyJLIXMLVGRHECDU-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.71
Rot. Bonds2

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

3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide (PubChem CID 61092934) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
PubChem CID61092934
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2nc3ccccc3s2)c1
InChIInChI=1S/C14H12N4OS/c15-9-5-8(6-10(16)7-9)13(19)18-14-17-11-3-1-2-4-12(11)20-14/h1-7H,15-16H2,(H,17,18,19)
InChIKeyJLIXMLVGRHECDU-UHFFFAOYSA-N
XLogP2.71
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.71
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-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
CID 63187259
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
1-[(3-aminobenzoyl)amino]-3-(1,3-benzothiazol-2-yl)urea
CID 155671124
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide (CID 61092934) is 3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide is Nc1cc(N)cc(C(=O)Nc2nc3ccccc3s2)c1.
What is the InChIKey of 3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide?
The InChIKey is JLIXMLVGRHECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-9-5-8(6-10(16)7-9)13(19)18-14-17-11-3-1-2-4-12(11)20-14/h1-7H,15-16H2,(H,17,18,19).
What are the key properties of 3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide?
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide has a molecular weight of 284.34 g/mol, XLogP of 2.71, 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-(1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 61092934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).