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

C11H11N3O3S — CID 821625

IUPAC2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nncs2)c(OC)c1
InChIInChI=1S/C11H11N3O3S/c1-16-7-3-4-8(9(5-7)17-2)10(15)13-11-14-12-6-18-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyCBBLUPCVEXDGFP-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.81
Rot. Bonds4

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

2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 821625) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID821625
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nncs2)c(OC)c1
InChIInChI=1S/C11H11N3O3S/c1-16-7-3-4-8(9(5-7)17-2)10(15)13-11-14-12-6-18-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyCBBLUPCVEXDGFP-UHFFFAOYSA-N
XLogP1.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 869015
2,6-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1150758
3-iodo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276518
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750651
4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 938458
2,4-Dimethoxy-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-YL}benzamide
CID 1077806
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 1086869
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 4572582
N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 18561090
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 746125

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 821625) is 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nncs2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is CBBLUPCVEXDGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-16-7-3-4-8(9(5-7)17-2)10(15)13-11-14-12-6-18-11/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 265.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 821625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).