3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone

C12H10N2O2S — CID 105133667

IUPAC3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)c1cccc2c1OCCC2
InChIInChI=1S/C12H10N2O2S/c15-11(10-7-17-14-13-10)9-5-1-3-8-4-2-6-16-12(8)9/h1,3,5,7H,2,4,6H2
InChIKeySJPLVUUANXZLTR-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.09
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone

3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone (PubChem CID 105133667) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone
PubChem CID105133667
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)c1cccc2c1OCCC2
InChIInChI=1S/C12H10N2O2S/c15-11(10-7-17-14-13-10)9-5-1-3-8-4-2-6-16-12(8)9/h1,3,5,7H,2,4,6H2
InChIKeySJPLVUUANXZLTR-UHFFFAOYSA-N
XLogP2.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone (CID 105133667) is 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone is O=C(c1csnn1)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone?
The InChIKey is SJPLVUUANXZLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-11(10-7-17-14-13-10)9-5-1-3-8-4-2-6-16-12(8)9/h1,3,5,7H,2,4,6H2.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone?
3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone has a molecular weight of 246.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone is sourced from PubChem (CID 105133667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).