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

C14H16BrN3O2S — CID 26068299

IUPAC2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2nnc(CC(C)C)s2)c1
InChIInChI=1S/C14H16BrN3O2S/c1-8(2)6-12-17-18-14(21-12)16-13(19)10-7-9(20-3)4-5-11(10)15/h4-5,7-8H,6H2,1-3H3,(H,16,18,19)
InChIKeyBRESIMGDQPVPJW-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.76
Rot. Bonds5

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

2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 26068299) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID26068299
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2nnc(CC(C)C)s2)c1
InChIInChI=1S/C14H16BrN3O2S/c1-8(2)6-12-17-18-14(21-12)16-13(19)10-7-9(20-3)4-5-11(10)15/h4-5,7-8H,6H2,1-3H3,(H,16,18,19)
InChIKeyBRESIMGDQPVPJW-UHFFFAOYSA-N
XLogP3.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide
CID 26197074
7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide
CID 51277603
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
3-methoxy-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51228862
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 112809705
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 102709910
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide
CID 42995916

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 26068299) is 2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1ccc(Br)c(C(=O)Nc2nnc(CC(C)C)s2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is BRESIMGDQPVPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-8(2)6-12-17-18-14(21-12)16-13(19)10-7-9(20-3)4-5-11(10)15/h4-5,7-8H,6H2,1-3H3,(H,16,18,19).
What are the key properties of 2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 370.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 26068299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).