(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone

C11H10N2O2S — CID 105097627

IUPAC(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCCOc1ccccc1C(=O)c1cnsn1
InChIInChI=1S/C11H10N2O2S/c1-2-15-10-6-4-3-5-8(10)11(14)9-7-12-16-13-9/h3-7H,2H2,1H3
InChIKeyNXTCXPVISCKING-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.17
Rot. Bonds4

About (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone

(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 105097627) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID105097627
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCCOc1ccccc1C(=O)c1cnsn1
InChIInChI=1S/C11H10N2O2S/c1-2-15-10-6-4-3-5-8(10)11(14)9-7-12-16-13-9/h3-7H,2H2,1H3
InChIKeyNXTCXPVISCKING-UHFFFAOYSA-N
XLogP2.17
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
CID 174463979
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone
CID 112731515
1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one
CID 66469435
(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
CID 43344791
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
methyl 2-diazo-2-(2-ethoxyphenyl)acetate
CID 101119436

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone (CID 105097627) is (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone is CCOc1ccccc1C(=O)c1cnsn1.
What is the InChIKey of (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is NXTCXPVISCKING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-2-15-10-6-4-3-5-8(10)11(14)9-7-12-16-13-9/h3-7H,2H2,1H3.
What are the key properties of (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone?
(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 234.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 105097627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).