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

C14H16BrN3O2S — CID 26197074

IUPAC2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide
SMILESCCCCc1nnc(NC(=O)c2cc(OC)ccc2Br)s1
InChIInChI=1S/C14H16BrN3O2S/c1-3-4-5-12-17-18-14(21-12)16-13(19)10-8-9(20-2)6-7-11(10)15/h6-8H,3-5H2,1-2H3,(H,16,18,19)
InChIKeyWFGPKFUPNBSYRO-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.90
Rot. Bonds6

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

2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide (PubChem CID 26197074) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide
PubChem CID26197074
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide
SMILESCCCCc1nnc(NC(=O)c2cc(OC)ccc2Br)s1
InChIInChI=1S/C14H16BrN3O2S/c1-3-4-5-12-17-18-14(21-12)16-13(19)10-8-9(20-2)6-7-11(10)15/h6-8H,3-5H2,1-2H3,(H,16,18,19)
InChIKeyWFGPKFUPNBSYRO-UHFFFAOYSA-N
XLogP3.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 112809705
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 26068299
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 18198071
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804101
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
2-(4-methoxyphenyl)-4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 24667908

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide (CID 26197074) is 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide is CCCCc1nnc(NC(=O)c2cc(OC)ccc2Br)s1.
What is the InChIKey of 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide?
The InChIKey is WFGPKFUPNBSYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-3-4-5-12-17-18-14(21-12)16-13(19)10-8-9(20-2)6-7-11(10)15/h6-8H,3-5H2,1-2H3,(H,16,18,19).
What are the key properties of 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide?
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide has a molecular weight of 370.27 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide is sourced from PubChem (CID 26197074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).