N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine

C14H18ClN3O2S — CID 105031226

IUPACN-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc(OC)nc1OC)c1sccc1Cl
InChIInChI=1S/C14H18ClN3O2S/c1-4-6-16-11(13-9(15)5-7-21-13)12-14(20-3)18-10(19-2)8-17-12/h5,7-8,11,16H,4,6H2,1-3H3
InChIKeyRGWZMQIYRSHVNU-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.30
Rot. Bonds7

About N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine

N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105031226) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID105031226
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc(OC)nc1OC)c1sccc1Cl
InChIInChI=1S/C14H18ClN3O2S/c1-4-6-16-11(13-9(15)5-7-21-13)12-14(20-3)18-10(19-2)8-17-12/h5,7-8,11,16H,4,6H2,1-3H3
InChIKeyRGWZMQIYRSHVNU-UHFFFAOYSA-N
XLogP3.30
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 107360108
N-[(3,5-dimethoxypyrazin-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105178358
N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032074
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107977129
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
N-[(3,5-dimethoxypyrazin-2-yl)-pyridin-4-ylmethyl]ethanamine
CID 105065997
1-(3,5-dimethoxypyrazin-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105031186
N-[(3-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]propan-1-amine
CID 105032918
N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 80529345
N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105178294

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine (CID 105031226) is N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1ncc(OC)nc1OC)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is RGWZMQIYRSHVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-4-6-16-11(13-9(15)5-7-21-13)12-14(20-3)18-10(19-2)8-17-12/h5,7-8,11,16H,4,6H2,1-3H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine?
N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 327.84 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105031226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).