(3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone

C11H10N2O3S — CID 105117228

IUPAC(3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2cnns2)c1
InChIInChI=1S/C11H10N2O3S/c1-15-8-3-7(4-9(5-8)16-2)11(14)10-6-12-13-17-10/h3-6H,1-2H3
InChIKeyKGZGBJMYNIVMCD-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.79
Rot. Bonds4

About (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone

(3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone (PubChem CID 105117228) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone
PubChem CID105117228
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name(3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2cnns2)c1
InChIInChI=1S/C11H10N2O3S/c1-15-8-3-7(4-9(5-8)16-2)11(14)10-6-12-13-17-10/h3-6H,1-2H3
InChIKeyKGZGBJMYNIVMCD-UHFFFAOYSA-N
XLogP1.79
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxybenzoyl fluoride
CID 102051744
(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
CID 116605219
lithium 3,5-dimethoxybenzoate
CID 19205782
(2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone
CID 105119964
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
methyl 2-(thiadiazole-5-carbonylamino)propanoate
CID 61037921
(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
CID 24723154
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanone
CID 65279107
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
1,3,5-trimethoxybenzene;urea
CID 174919725
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone (CID 105117228) is (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone is COc1cc(OC)cc(C(=O)c2cnns2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone?
The InChIKey is KGZGBJMYNIVMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-15-8-3-7(4-9(5-8)16-2)11(14)10-6-12-13-17-10/h3-6H,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone?
(3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone has a molecular weight of 250.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 105117228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).