2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

C11H10BrN3O2S — CID 897765

IUPAC2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H10BrN3O2S/c1-17-6-9-14-15-11(18-9)13-10(16)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyOYDOOYYUPUSBQS-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.70
Rot. Bonds4

About 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 897765) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID897765
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H10BrN3O2S/c1-17-6-9-14-15-11(18-9)13-10(16)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyOYDOOYYUPUSBQS-UHFFFAOYSA-N
XLogP2.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 897765) is 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is COCc1nnc(NC(=O)c2ccccc2Br)s1.
What is the InChIKey of 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OYDOOYYUPUSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c1-17-6-9-14-15-11(18-9)13-10(16)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,13,15,16).
What are the key properties of 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 328.19 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 897765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).