3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one

C11H7N3O2S — CID 10514492

IUPAC3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one
SMILESNc1nc(-c2cc3ccccc3oc2=O)ns1
InChIInChI=1S/C11H7N3O2S/c12-11-13-9(14-17-11)7-5-6-3-1-2-4-8(6)16-10(7)15/h1-5H,(H2,12,13,14)
InChIKeyIAOWYRAKLUVLHT-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.89
Rot. Bonds1

About 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one

3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one (PubChem CID 10514492) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one.

Molecular Properties

Compound Name3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one
PubChem CID10514492
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one
SMILESNc1nc(-c2cc3ccccc3oc2=O)ns1
InChIInChI=1S/C11H7N3O2S/c12-11-13-9(14-17-11)7-5-6-3-1-2-4-8(6)16-10(7)15/h1-5H,(H2,12,13,14)
InChIKeyIAOWYRAKLUVLHT-UHFFFAOYSA-N
XLogP1.89
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-phenylchromen-2-one;hydrochloride
CID 141206894
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 154050171
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
3-[2-(methylideneamino)-1,3-thiazol-4-yl]chromen-2-one
CID 71419333
3-(1,2,5-oxadiazol-3-yl)chromen-2-one
CID 141396662
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 705931
4-(2-oxochromen-3-yl)benzoate
CID 4249737
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120855673
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120863265
3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)chromen-2-one
CID 14978368
3-(3-sulfanylidene-2H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)chromen-2-one
CID 72736597

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one?
The IUPAC name of 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one (CID 10514492) is 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one.
What is the SMILES notation for 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one?
The canonical SMILES for 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one is Nc1nc(-c2cc3ccccc3oc2=O)ns1.
What is the InChIKey of 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one?
The InChIKey is IAOWYRAKLUVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c12-11-13-9(14-17-11)7-5-6-3-1-2-4-8(6)16-10(7)15/h1-5H,(H2,12,13,14).
What are the key properties of 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one?
3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one has a molecular weight of 245.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one is sourced from PubChem (CID 10514492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).