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

C14H9Cl2N3O3S — CID 4970034

IUPAC6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1
InChIInChI=1S/C14H9Cl2N3O3S/c1-2-11-18-19-14(23-11)17-13(21)10-5-9(20)7-3-6(15)4-8(16)12(7)22-10/h3-5H,2H2,1H3,(H,17,19,21)
InChIKeySPHAZGNLUJOBBK-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.77
Rot. Bonds3

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

6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 4970034) has the molecular formula C14H9Cl2N3O3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID4970034
Molecular FormulaC14H9Cl2N3O3S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1
InChIInChI=1S/C14H9Cl2N3O3S/c1-2-11-18-19-14(23-11)17-13(21)10-5-9(20)7-3-6(15)4-8(16)12(7)22-10/h3-5H,2H2,1H3,(H,17,19,21)
InChIKeySPHAZGNLUJOBBK-UHFFFAOYSA-N
XLogP3.77
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.77
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-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (CID 4970034) is 6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is CCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1.
What is the InChIKey of 6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is SPHAZGNLUJOBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3S/c1-2-11-18-19-14(23-11)17-13(21)10-5-9(20)7-3-6(15)4-8(16)12(7)22-10/h3-5H,2H2,1H3,(H,17,19,21).
What are the key properties of 6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
6,8-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 370.22 g/mol, XLogP of 3.77, 3 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-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4970034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).