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

C11H13N5OS2 — CID 112580185

IUPAC3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
SMILESCN(C)c1nnc(Sc2c(N)cccc2C(N)=O)s1
InChIInChI=1S/C11H13N5OS2/c1-16(2)10-14-15-11(19-10)18-8-6(9(13)17)4-3-5-7(8)12/h3-5H,12H2,1-2H3,(H2,13,17)
InChIKeyLQDYWXGTXDGBIT-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.44
Rot. Bonds4

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

3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide (PubChem CID 112580185) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide.

Molecular Properties

Compound Name3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
PubChem CID112580185
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC Name3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
SMILESCN(C)c1nnc(Sc2c(N)cccc2C(N)=O)s1
InChIInChI=1S/C11H13N5OS2/c1-16(2)10-14-15-11(19-10)18-8-6(9(13)17)4-3-5-7(8)12/h3-5H,12H2,1-2H3,(H2,13,17)
InChIKeyLQDYWXGTXDGBIT-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
CID 112580243
3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
CID 63737454
5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737803
5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
CID 81440111
N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 63738165
3-amino-2-(4-methoxyphenyl)sulfanylbenzamide
CID 112580007
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid
CID 63736937
methyl 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoate
CID 112580023
5-[2-(2-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737804
3-amino-2-naphthalen-2-ylsulfanylbenzamide
CID 115935939
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 63739046
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-methoxybenzoic acid
CID 81309694

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide?
The IUPAC name of 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide (CID 112580185) is 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide.
What is the SMILES notation for 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide?
The canonical SMILES for 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide is CN(C)c1nnc(Sc2c(N)cccc2C(N)=O)s1.
What is the InChIKey of 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide?
The InChIKey is LQDYWXGTXDGBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c1-16(2)10-14-15-11(19-10)18-8-6(9(13)17)4-3-5-7(8)12/h3-5H,12H2,1-2H3,(H2,13,17).
What are the key properties of 3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide?
3-amino-2-[[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-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide is sourced from PubChem (CID 112580185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).