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

C14H11N3O3S — CID 19119114

IUPAC8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c3cccc(C)c3o2)s1
InChIInChI=1S/C14H11N3O3S/c1-7-4-3-5-9-10(18)6-11(20-12(7)9)13(19)15-14-17-16-8(2)21-14/h3-6H,1-2H3,(H,15,17,19)
InChIKeyWOFCQSCRQRNDMT-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.51
Rot. Bonds2

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

8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 19119114) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID19119114
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c3cccc(C)c3o2)s1
InChIInChI=1S/C14H11N3O3S/c1-7-4-3-5-9-10(18)6-11(20-12(7)9)13(19)15-14-17-16-8(2)21-14/h3-6H,1-2H3,(H,15,17,19)
InChIKeyWOFCQSCRQRNDMT-UHFFFAOYSA-N
XLogP2.51
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide (CID 19119114) is 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is Cc1nnc(NC(=O)c2cc(=O)c3cccc(C)c3o2)s1.
What is the InChIKey of 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is WOFCQSCRQRNDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-7-4-3-5-9-10(18)6-11(20-12(7)9)13(19)15-14-17-16-8(2)21-14/h3-6H,1-2H3,(H,15,17,19).
What are the key properties of 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide?
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 19119114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).