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

C11H12N4O3S — CID 112606083

IUPAC2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)Nc2nncs2)c1
InChIInChI=1S/C11H12N4O3S/c1-17-6-3-7(9(12)8(4-6)18-2)10(16)14-11-15-13-5-19-11/h3-5H,12H2,1-2H3,(H,14,15,16)
InChIKeyCOGOLDIKNZUPQB-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.39
Rot. Bonds4

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

2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 112606083) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID112606083
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)Nc2nncs2)c1
InChIInChI=1S/C11H12N4O3S/c1-17-6-3-7(9(12)8(4-6)18-2)10(16)14-11-15-13-5-19-11/h3-5H,12H2,1-2H3,(H,14,15,16)
InChIKeyCOGOLDIKNZUPQB-UHFFFAOYSA-N
XLogP1.39
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 78985107
2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 115950747
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide
CID 116794634
2-amino-3,5-dimethoxy-N-(6-methyl-2-pyridinyl)benzamide
CID 115950448
5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 102704945
2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370129
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide
CID 104616629
2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide
CID 115950780
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 112606083) is 2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1cc(OC)c(N)c(C(=O)Nc2nncs2)c1.
What is the InChIKey of 2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is COGOLDIKNZUPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-17-6-3-7(9(12)8(4-6)18-2)10(16)14-11-15-13-5-19-11/h3-5H,12H2,1-2H3,(H,14,15,16).
What are the key properties of 2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 280.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 112606083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).