N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide

C10H9BrN4O2S — CID 79513171

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(N)s2)cc1Br
InChIInChI=1S/C10H9BrN4O2S/c1-17-7-3-2-5(4-6(7)11)8(16)13-10-15-14-9(12)18-10/h2-4H,1H3,(H2,12,14)(H,13,15,16)
InChIKeyWGRHZQISEBDWBM-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.14
Rot. Bonds3

About N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide (PubChem CID 79513171) has the molecular formula C10H9BrN4O2S and a molecular weight of 329.18 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide
PubChem CID79513171
Molecular FormulaC10H9BrN4O2S
Molecular Weight329.18 g/mol
Exact Mass327.96
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(N)s2)cc1Br
InChIInChI=1S/C10H9BrN4O2S/c1-17-7-3-2-5(4-6(7)11)8(16)13-10-15-14-9(12)18-10/h2-4H,1H3,(H2,12,14)(H,13,15,16)
InChIKeyWGRHZQISEBDWBM-UHFFFAOYSA-N
XLogP2.14
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
CID 81306935
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
CID 79516243
3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1136044
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 802329
3-bromo-4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 61033825
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 32866726
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
CID 61033191
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide
CID 50881968
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide (CID 79513171) is N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)Nc2nnc(N)s2)cc1Br.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide?
The InChIKey is WGRHZQISEBDWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2S/c1-17-7-3-2-5(4-6(7)11)8(16)13-10-15-14-9(12)18-10/h2-4H,1H3,(H2,12,14)(H,13,15,16).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide has a molecular weight of 329.18 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 79513171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).