2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone

C16H18N2O2S — CID 105127627

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C16H18N2O2S/c1-2-5-13-16(21-18-17-13)14(19)10-11-8-9-20-15-7-4-3-6-12(11)15/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyVXOBNOXMFAGCFY-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.63
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone (PubChem CID 105127627) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
PubChem CID105127627
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C16H18N2O2S/c1-2-5-13-16(21-18-17-13)14(19)10-11-8-9-20-15-7-4-3-6-12(11)15/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyVXOBNOXMFAGCFY-UHFFFAOYSA-N
XLogP3.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 115798762
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798791
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxypentan-2-one
CID 116707180
3-(aminomethyl)-1-(3,4-dihydro-2H-chromen-4-yl)-3-ethylpentan-2-one
CID 116603807
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 104769760
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115798883

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone (CID 105127627) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone is CCCc1nnsc1C(=O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The InChIKey is VXOBNOXMFAGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-5-13-16(21-18-17-13)14(19)10-11-8-9-20-15-7-4-3-6-12(11)15/h3-4,6-7,11H,2,5,8-10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone has a molecular weight of 302.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105127627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).