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

C10H9ClN4O2S — CID 79516243

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(N)s1
InChIInChI=1S/C10H9ClN4O2S/c1-17-7-3-2-5(11)4-6(7)8(16)13-10-15-14-9(12)18-10/h2-4H,1H3,(H2,12,14)(H,13,15,16)
InChIKeyOYZWKASAEUQBLU-UHFFFAOYSA-N
MW284.73 g/mol
LogP2.03
Rot. Bonds3

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

N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide (PubChem CID 79516243) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
PubChem CID79516243
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(N)s1
InChIInChI=1S/C10H9ClN4O2S/c1-17-7-3-2-5(11)4-6(7)8(16)13-10-15-14-9(12)18-10/h2-4H,1H3,(H2,12,14)(H,13,15,16)
InChIKeyOYZWKASAEUQBLU-UHFFFAOYSA-N
XLogP2.03
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methoxy-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 67545332
5-chloro-2-methoxy-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100530148
5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45013631
5-chloro-N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 17203515
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 1078967
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide
CID 79513171
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 39026069

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide (CID 79516243) is N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nnc(N)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide?
The InChIKey is OYZWKASAEUQBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c1-17-7-3-2-5(11)4-6(7)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)-5-chloro-2-methoxybenzamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide has a molecular weight of 284.73 g/mol, XLogP of 2.03, 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)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 79516243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).