(3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone

C15H18N2O3S — CID 105096318

IUPAC(3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCOc1ccc(C(=O)c2snnc2CC)cc1OCC
InChIInChI=1S/C15H18N2O3S/c1-4-11-15(21-17-16-11)14(18)10-7-8-12(19-5-2)13(9-10)20-6-3/h7-9H,4-6H2,1-3H3
InChIKeyXZSKQVWHAPDRQU-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.13
Rot. Bonds7

About (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone

(3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 105096318) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone
PubChem CID105096318
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCOc1ccc(C(=O)c2snnc2CC)cc1OCC
InChIInChI=1S/C15H18N2O3S/c1-4-11-15(21-17-16-11)14(18)10-7-8-12(19-5-2)13(9-10)20-6-3/h7-9H,4-6H2,1-3H3
InChIKeyXZSKQVWHAPDRQU-UHFFFAOYSA-N
XLogP3.13
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(3,4-diethoxyphenyl)methanone
CID 135325793
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535714
(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
(4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone
CID 105095763
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
4-ethylthiadiazole-5-carboxamide
CID 45084470
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 105122356
ethyl 3,4-diethoxybenzoate
CID 586407
(3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone
CID 104656774
(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195255

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone (CID 105096318) is (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone is CCOc1ccc(C(=O)c2snnc2CC)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is XZSKQVWHAPDRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-4-11-15(21-17-16-11)14(18)10-7-8-12(19-5-2)13(9-10)20-6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone?
(3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105096318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).