N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide

C16H15N3O3S — CID 78778902

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1
InChIInChI=1S/C16H15N3O3S/c1-2-3-8-14-18-19-16(23-14)17-15(21)13-9-11(20)10-6-4-5-7-12(10)22-13/h4-7,9H,2-3,8H2,1H3,(H,17,19,21)
InChIKeyWLPSZWTWDIOEBF-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.24
Rot. Bonds5

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 78778902) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID78778902
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1
InChIInChI=1S/C16H15N3O3S/c1-2-3-8-14-18-19-16(23-14)17-15(21)13-9-11(20)10-6-4-5-7-12(10)22-13/h4-7,9H,2-3,8H2,1H3,(H,17,19,21)
InChIKeyWLPSZWTWDIOEBF-UHFFFAOYSA-N
XLogP3.24
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.24
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
7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4871288
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261982
N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31036968
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (CID 78778902) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is CCCCc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is WLPSZWTWDIOEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-3-8-14-18-19-16(23-14)17-15(21)13-9-11(20)10-6-4-5-7-12(10)22-13/h4-7,9H,2-3,8H2,1H3,(H,17,19,21).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 78778902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).