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

C10H10N4OS2 — CID 60875411

IUPAC3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
SMILESCc1nnc(Sc2ccc(C(N)=O)cc2N)s1
InChIInChI=1S/C10H10N4OS2/c1-5-13-14-10(16-5)17-8-3-2-6(9(12)15)4-7(8)11/h2-4H,11H2,1H3,(H2,12,15)
InChIKeyBATRPUUIVXICSU-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.68
Rot. Bonds3

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

3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide (PubChem CID 60875411) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
PubChem CID60875411
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
SMILESCc1nnc(Sc2ccc(C(N)=O)cc2N)s1
InChIInChI=1S/C10H10N4OS2/c1-5-13-14-10(16-5)17-8-3-2-6(9(12)15)4-7(8)11/h2-4H,11H2,1H3,(H2,12,15)
InChIKeyBATRPUUIVXICSU-UHFFFAOYSA-N
XLogP1.68
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide (CID 60875411) is 3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide is Cc1nnc(Sc2ccc(C(N)=O)cc2N)s1.
What is the InChIKey of 3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
The InChIKey is BATRPUUIVXICSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-5-13-14-10(16-5)17-8-3-2-6(9(12)15)4-7(8)11/h2-4H,11H2,1H3,(H2,12,15).
What are the key properties of 3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide has a molecular weight of 266.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 60875411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).