5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride

C16H16ClN3O2S — CID 168878438

IUPAC5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride
SMILESCOc1ccc(-c2cncc(-c3cc(N)cs3)n2)cc1OC.Cl
InChIInChI=1S/C16H15N3O2S.ClH/c1-20-14-4-3-10(5-15(14)21-2)12-7-18-8-13(19-12)16-6-11(17)9-22-16;/h3-9H,17H2,1-2H3;1H
InChIKeyUFICEHIDIRKEJY-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.89
Rot. Bonds4

About 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride

5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride (PubChem CID 168878438) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride.

Molecular Properties

Compound Name5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride
PubChem CID168878438
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride
SMILESCOc1ccc(-c2cncc(-c3cc(N)cs3)n2)cc1OC.Cl
InChIInChI=1S/C16H15N3O2S.ClH/c1-20-14-4-3-10(5-15(14)21-2)12-7-18-8-13(19-12)16-6-11(17)9-22-16;/h3-9H,17H2,1-2H3;1H
InChIKeyUFICEHIDIRKEJY-UHFFFAOYSA-N
XLogP3.89
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine
CID 168878472
N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
CID 170178372
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
CID 170178381
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide
CID 170178382
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 40773451
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride?
The IUPAC name of 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride (CID 168878438) is 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride.
What is the SMILES notation for 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride?
The canonical SMILES for 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride is COc1ccc(-c2cncc(-c3cc(N)cs3)n2)cc1OC.Cl.
What is the InChIKey of 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride?
The InChIKey is UFICEHIDIRKEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S.ClH/c1-20-14-4-3-10(5-15(14)21-2)12-7-18-8-13(19-12)16-6-11(17)9-22-16;/h3-9H,17H2,1-2H3;1H.
What are the key properties of 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride?
5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride has a molecular weight of 349.84 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride is sourced from PubChem (CID 168878438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).