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

C14H10ClN3O3S — CID 4871004

IUPAC6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)s1
InChIInChI=1S/C14H10ClN3O3S/c1-2-12-17-18-14(22-12)16-13(20)11-6-9(19)8-5-7(15)3-4-10(8)21-11/h3-6H,2H2,1H3,(H,16,18,20)
InChIKeyUMSCSFQDIJGJAF-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.11
Rot. Bonds3

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

6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 4871004) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID4871004
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)s1
InChIInChI=1S/C14H10ClN3O3S/c1-2-12-17-18-14(22-12)16-13(20)11-6-9(19)8-5-7(15)3-4-10(8)21-11/h3-6H,2H2,1H3,(H,16,18,20)
InChIKeyUMSCSFQDIJGJAF-UHFFFAOYSA-N
XLogP3.11
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (CID 4871004) is 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is CCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)s1.
What is the InChIKey of 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is UMSCSFQDIJGJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c1-2-12-17-18-14(22-12)16-13(20)11-6-9(19)8-5-7(15)3-4-10(8)21-11/h3-6H,2H2,1H3,(H,16,18,20).
What are the key properties of 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4871004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).