7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one

C15H12N2O3S — CID 161397000

IUPAC7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one
SMILESCc1ccc2c(=O)cc(C(=O)Cc3nnc(C)s3)oc2c1
InChIInChI=1S/C15H12N2O3S/c1-8-3-4-10-11(18)6-14(20-13(10)5-8)12(19)7-15-17-16-9(2)21-15/h3-6H,7H2,1-2H3
InChIKeyVTSQHJMWTLPRLI-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.69
Rot. Bonds3

About 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one

7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one (PubChem CID 161397000) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one.

Molecular Properties

Compound Name7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one
PubChem CID161397000
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one
SMILESCc1ccc2c(=O)cc(C(=O)Cc3nnc(C)s3)oc2c1
InChIInChI=1S/C15H12N2O3S/c1-8-3-4-10-11(18)6-14(20-13(10)5-8)12(19)7-15-17-16-9(2)21-15/h3-6H,7H2,1-2H3
InChIKeyVTSQHJMWTLPRLI-UHFFFAOYSA-N
XLogP2.69
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one?
The IUPAC name of 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one (CID 161397000) is 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one.
What is the SMILES notation for 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one?
The canonical SMILES for 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one is Cc1ccc2c(=O)cc(C(=O)Cc3nnc(C)s3)oc2c1.
What is the InChIKey of 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one?
The InChIKey is VTSQHJMWTLPRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-8-3-4-10-11(18)6-14(20-13(10)5-8)12(19)7-15-17-16-9(2)21-15/h3-6H,7H2,1-2H3.
What are the key properties of 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one?
7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one has a molecular weight of 300.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one is sourced from PubChem (CID 161397000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).