7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide

C14H10BrN3O3S — CID 4871288

IUPAC7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)s1
InChIInChI=1S/C14H10BrN3O3S/c1-2-12-17-18-14(22-12)16-13(20)11-6-9(19)8-4-3-7(15)5-10(8)21-11/h3-6H,2H2,1H3,(H,16,18,20)
InChIKeyFKNKAPWVQJTTRY-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.22
Rot. Bonds3

About 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide

7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 4871288) has the molecular formula C14H10BrN3O3S and a molecular weight of 380.22 g/mol. Its IUPAC name is 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID4871288
Molecular FormulaC14H10BrN3O3S
Molecular Weight380.22 g/mol
Exact Mass378.96
IUPAC Name7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)s1
InChIInChI=1S/C14H10BrN3O3S/c1-2-12-17-18-14(22-12)16-13(20)11-6-9(19)8-4-3-7(15)5-10(8)21-11/h3-6H,2H2,1H3,(H,16,18,20)
InChIKeyFKNKAPWVQJTTRY-UHFFFAOYSA-N
XLogP3.22
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
CID 4975873
pentakis(7-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide);N,N-dimethylformamide
CID 175653197
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 78778902
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 54787300
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 39834838
7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
CID 35180956
6-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7-methyl-4-oxochromene-2-carboxamide
CID 4975440
7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide
CID 154874451
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)furan-2-carboxamide
CID 71690111

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (CID 4871288) is 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is CCc1nnc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)s1.
What is the InChIKey of 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is FKNKAPWVQJTTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3S/c1-2-12-17-18-14(22-12)16-13(20)11-6-9(19)8-4-3-7(15)5-10(8)21-11/h3-6H,2H2,1H3,(H,16,18,20).
What are the key properties of 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 380.22 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4871288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).