6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide

C15H11Cl2N3O3S — CID 4973346

IUPAC6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1
InChIInChI=1S/C15H11Cl2N3O3S/c1-6(2)14-19-20-15(24-14)18-13(22)11-5-10(21)8-3-7(16)4-9(17)12(8)23-11/h3-6H,1-2H3,(H,18,20,22)
InChIKeyDDSYMFHGBZQFLQ-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.33
Rot. Bonds3

About 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide

6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide (PubChem CID 4973346) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
PubChem CID4973346
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC Name6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1
InChIInChI=1S/C15H11Cl2N3O3S/c1-6(2)14-19-20-15(24-14)18-13(22)11-5-10(21)8-3-7(16)4-9(17)12(8)23-11/h3-6H,1-2H3,(H,18,20,22)
InChIKeyDDSYMFHGBZQFLQ-UHFFFAOYSA-N
XLogP4.33
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide?
The IUPAC name of 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide (CID 4973346) is 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide.
What is the SMILES notation for 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide?
The canonical SMILES for 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide is CC(C)c1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1.
What is the InChIKey of 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide?
The InChIKey is DDSYMFHGBZQFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c1-6(2)14-19-20-15(24-14)18-13(22)11-5-10(21)8-3-7(16)4-9(17)12(8)23-11/h3-6H,1-2H3,(H,18,20,22).
What are the key properties of 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide?
6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide has a molecular weight of 384.24 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide is sourced from PubChem (CID 4973346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).