3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide

C11H13N5OS2 — CID 63737454

IUPAC3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
SMILESCN(C)c1nnc(Sc2ccc(C(N)=O)cc2N)s1
InChIInChI=1S/C11H13N5OS2/c1-16(2)10-14-15-11(19-10)18-8-4-3-6(9(13)17)5-7(8)12/h3-5H,12H2,1-2H3,(H2,13,17)
InChIKeyKWHZIZNYBDPWOW-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.44
Rot. Bonds4

About 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide

3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide (PubChem CID 63737454) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
PubChem CID63737454
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC Name3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
SMILESCN(C)c1nnc(Sc2ccc(C(N)=O)cc2N)s1
InChIInChI=1S/C11H13N5OS2/c1-16(2)10-14-15-11(19-10)18-8-4-3-6(9(13)17)5-7(8)12/h3-5H,12H2,1-2H3,(H2,13,17)
InChIKeyKWHZIZNYBDPWOW-UHFFFAOYSA-N
XLogP1.44
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide?
The IUPAC name of 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide (CID 63737454) is 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide.
What is the SMILES notation for 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide?
The canonical SMILES for 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide is CN(C)c1nnc(Sc2ccc(C(N)=O)cc2N)s1.
What is the InChIKey of 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide?
The InChIKey is KWHZIZNYBDPWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c1-16(2)10-14-15-11(19-10)18-8-4-3-6(9(13)17)5-7(8)12/h3-5H,12H2,1-2H3,(H2,13,17).
What are the key properties of 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide?
3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide has a molecular weight of 295.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide is sourced from PubChem (CID 63737454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).