1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

C12H17N5OS — CID 105178581

IUPAC1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1nccnc1OC
InChIInChI=1S/C12H17N5OS/c1-4-5-8-11(19-17-16-8)9(13-2)10-12(18-3)15-7-6-14-10/h6-7,9,13H,4-5H2,1-3H3
InChIKeyPIKJOYRYLAPRGU-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.60
Rot. Bonds6

About 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105178581) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105178581
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1nccnc1OC
InChIInChI=1S/C12H17N5OS/c1-4-5-8-11(19-17-16-8)9(13-2)10-12(18-3)15-7-6-14-10/h6-7,9,13H,4-5H2,1-3H3
InChIKeyPIKJOYRYLAPRGU-UHFFFAOYSA-N
XLogP1.60
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(4-ethylthiadiazol-5-yl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332698
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105179011
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
1-(3-methoxypyrazin-2-yl)-N,2-dimethylbutan-1-amine
CID 104515585
1-(4-ethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032032
N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105161965
(3,5-dimethoxypyrazin-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105123476
1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 104515370
N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105178702
N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105141285
1-(3-methoxypyrazin-2-yl)-N-methylpentan-1-amine
CID 104515877
1-(2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105120034

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (CID 105178581) is 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(NC)c1nccnc1OC.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is PIKJOYRYLAPRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-5-8-11(19-17-16-8)9(13-2)10-12(18-3)15-7-6-14-10/h6-7,9,13H,4-5H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 279.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105178581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).