3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

C10H10N4O2S — CID 78985107

IUPAC3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(N)cc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C10H10N4O2S/c1-16-8-3-6(2-7(11)4-8)9(15)13-10-14-12-5-17-10/h2-5H,11H2,1H3,(H,13,14,15)
InChIKeyHHBCXHFSTRBVDW-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.38
Rot. Bonds3

About 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 78985107) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID78985107
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(N)cc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C10H10N4O2S/c1-16-8-3-6(2-7(11)4-8)9(15)13-10-14-12-5-17-10/h2-5H,11H2,1H3,(H,13,14,15)
InChIKeyHHBCXHFSTRBVDW-UHFFFAOYSA-N
XLogP1.38
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55009778
2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 112606083
3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 89224170
3-amino-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 81090250
3-amino-5-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 78984369
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
3-amino-5-methoxy-N-(1-methylpyrazol-4-yl)benzamide
CID 81089867
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide
CID 81090898
3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 81090786
3-amino-N-(4-cyanophenyl)-5-methoxybenzamide
CID 78985323
3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6470444
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 78985107) is 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1cc(N)cc(C(=O)Nc2nncs2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HHBCXHFSTRBVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-16-8-3-6(2-7(11)4-8)9(15)13-10-14-12-5-17-10/h2-5H,11H2,1H3,(H,13,14,15).
What are the key properties of 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 250.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 78985107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).