6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide

C13H7Cl2N3O3S — CID 4870611

IUPAC6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1
InChIInChI=1S/C13H7Cl2N3O3S/c1-5-17-18-13(22-5)16-12(20)10-4-9(19)7-2-6(14)3-8(15)11(7)21-10/h2-4H,1H3,(H,16,18,20)
InChIKeyAODRTHRJLZXVOS-UHFFFAOYSA-N
MW356.19 g/mol
LogP3.51
Rot. Bonds2

About 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide

6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 4870611) has the molecular formula C13H7Cl2N3O3S and a molecular weight of 356.19 g/mol. Its IUPAC name is 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID4870611
Molecular FormulaC13H7Cl2N3O3S
Molecular Weight356.19 g/mol
Exact Mass354.96
IUPAC Name6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1
InChIInChI=1S/C13H7Cl2N3O3S/c1-5-17-18-13(22-5)16-12(20)10-4-9(19)7-2-6(14)3-8(15)11(7)21-10/h2-4H,1H3,(H,16,18,20)
InChIKeyAODRTHRJLZXVOS-UHFFFAOYSA-N
XLogP3.51
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (CID 4870611) is 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is Cc1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1.
What is the InChIKey of 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is AODRTHRJLZXVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O3S/c1-5-17-18-13(22-5)16-12(20)10-4-9(19)7-2-6(14)3-8(15)11(7)21-10/h2-4H,1H3,(H,16,18,20).
What are the key properties of 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 356.19 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4870611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).