N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine

C11H15N5OS — CID 105178702

IUPACN-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)c1nccnc1OC
InChIInChI=1S/C11H15N5OS/c1-3-4-12-9(8-7-15-16-18-8)10-11(17-2)14-6-5-13-10/h5-7,9,12H,3-4H2,1-2H3
InChIKeyDSBHMKSJFWKFDN-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.43
Rot. Bonds6

About N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine

N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105178702) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105178702
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)c1nccnc1OC
InChIInChI=1S/C11H15N5OS/c1-3-4-12-9(8-7-15-16-18-8)10-11(17-2)14-6-5-13-10/h5-7,9,12H,3-4H2,1-2H3
InChIKeyDSBHMKSJFWKFDN-UHFFFAOYSA-N
XLogP1.43
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(4,5-dimethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031771
N-[pyrazin-2-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105150036
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104516047
N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032074
N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031892
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098
N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032207

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine (CID 105178702) is N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cnns1)c1nccnc1OC.
What is the InChIKey of N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is DSBHMKSJFWKFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-4-12-9(8-7-15-16-18-8)10-11(17-2)14-6-5-13-10/h5-7,9,12H,3-4H2,1-2H3.
What are the key properties of N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 265.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105178702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).