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

C14H11N3O4S — CID 19207124

IUPAC6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3nnc(C)s3)cc2c1
InChIInChI=1S/C14H11N3O4S/c1-7-16-17-14(22-7)15-12(18)10-6-8-5-9(20-2)3-4-11(8)21-13(10)19/h3-6H,1-2H3,(H,15,17,18)
InChIKeyWTTXBVQOZAHGNK-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.21
Rot. Bonds3

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

6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide (PubChem CID 19207124) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
PubChem CID19207124
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Name6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3nnc(C)s3)cc2c1
InChIInChI=1S/C14H11N3O4S/c1-7-16-17-14(22-7)15-12(18)10-6-8-5-9(20-2)3-4-11(8)21-13(10)19/h3-6H,1-2H3,(H,15,17,18)
InChIKeyWTTXBVQOZAHGNK-UHFFFAOYSA-N
XLogP2.21
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19229187
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19229192
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19207167
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
6-methoxy-2-oxo-N-(2-propan-2-ylphenyl)chromene-3-carboxamide
CID 19207085
N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 6710540
N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19207094

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide (CID 19207124) is 6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3nnc(C)s3)cc2c1.
What is the InChIKey of 6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide?
The InChIKey is WTTXBVQOZAHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c1-7-16-17-14(22-7)15-12(18)10-6-8-5-9(20-2)3-4-11(8)21-13(10)19/h3-6H,1-2H3,(H,15,17,18).
What are the key properties of 6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide?
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide has a molecular weight of 317.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 19207124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).