1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

C13H19N5O2S — CID 105178281

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1ncc(OC)nc1OC)c1snnc1C(C)C
InChIInChI=1S/C13H19N5O2S/c1-7(2)9-12(21-18-17-9)10(14-3)11-13(20-5)16-8(19-4)6-15-11/h6-7,10,14H,1-5H3
InChIKeyKGQYNAJISHAADJ-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.78
Rot. Bonds6

About 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105178281) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105178281
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1ncc(OC)nc1OC)c1snnc1C(C)C
InChIInChI=1S/C13H19N5O2S/c1-7(2)9-12(21-18-17-9)10(14-3)11-13(20-5)16-8(19-4)6-15-11/h6-7,10,14H,1-5H3
InChIKeyKGQYNAJISHAADJ-UHFFFAOYSA-N
XLogP1.78
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105178221
(3,5-dimethoxypyrazin-2-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 105178333
1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105178350
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 105178345
(3,5-dimethoxypyrazin-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105123476
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755786
1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105030961
1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105031379
1-(2,4-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 107946646
1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 105031250
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105178281) is 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is CNC(c1ncc(OC)nc1OC)c1snnc1C(C)C.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is KGQYNAJISHAADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-7(2)9-12(21-18-17-9)10(14-3)11-13(20-5)16-8(19-4)6-15-11/h6-7,10,14H,1-5H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 309.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105178281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).