(3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone

C11H9IN2O3S — CID 115796298

IUPAC(3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone
SMILESCOc1cnc(C(=O)c2csc(I)c2)c(OC)n1
InChIInChI=1S/C11H9IN2O3S/c1-16-8-4-13-9(11(14-8)17-2)10(15)6-3-7(12)18-5-6/h3-5H,1-2H3
InChIKeyKNPPMILLPVMTEP-UHFFFAOYSA-N
MW376.18 g/mol
LogP2.39
Rot. Bonds4

About (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone

(3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 115796298) has the molecular formula C11H9IN2O3S and a molecular weight of 376.18 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID115796298
Molecular FormulaC11H9IN2O3S
Molecular Weight376.18 g/mol
Exact Mass375.94
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone
SMILESCOc1cnc(C(=O)c2csc(I)c2)c(OC)n1
InChIInChI=1S/C11H9IN2O3S/c1-16-8-4-13-9(11(14-8)17-2)10(15)6-3-7(12)18-5-6/h3-5H,1-2H3
InChIKeyKNPPMILLPVMTEP-UHFFFAOYSA-N
XLogP2.39
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-bromothiophen-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone
CID 105126339
cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone
CID 103450024
(3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone
CID 113404104
1-(3,5-dimethoxypyrazin-2-yl)-2-ethylbut-2-en-1-one
CID 103447553
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone
CID 105126328
(3,5-dimethoxypyrazin-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125224
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one
CID 116747189
(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone
CID 79685566
1-(3,5-dimethoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 113404096
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one
CID 105126474
1-(3,5-dimethoxypyrazin-2-yl)-4-phenylbutan-1-one
CID 105126439

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone (CID 115796298) is (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone is COc1cnc(C(=O)c2csc(I)c2)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is KNPPMILLPVMTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O3S/c1-16-8-4-13-9(11(14-8)17-2)10(15)6-3-7(12)18-5-6/h3-5H,1-2H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone?
(3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 376.18 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 115796298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).