N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine

C13H19N5S — CID 105149972

IUPACN-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1snnc1C(C)(C)C
InChIInChI=1S/C13H19N5S/c1-5-15-10(9-8-14-6-7-16-9)11-12(13(2,3)4)17-18-19-11/h6-8,10,15H,5H2,1-4H3
InChIKeyONNZPKUOYFNWJK-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.32
Rot. Bonds4

About N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine

N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 105149972) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID105149972
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1snnc1C(C)(C)C
InChIInChI=1S/C13H19N5S/c1-5-15-10(9-8-14-6-7-16-9)11-12(13(2,3)4)17-18-19-11/h6-8,10,15H,5H2,1-4H3
InChIKeyONNZPKUOYFNWJK-UHFFFAOYSA-N
XLogP2.32
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 105150034
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096903
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 105142006
N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine
CID 115860541
N-[(4-tert-butylthiadiazol-5-yl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148326
N-[(4-tert-butylthiadiazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130488
[(4-ethylthiadiazol-5-yl)-pyrazin-2-ylmethyl]hydrazine
CID 105308737
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105168099
N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179246
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142749
N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine
CID 105167359

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine (CID 105149972) is N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1snnc1C(C)(C)C.
What is the InChIKey of N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is ONNZPKUOYFNWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-5-15-10(9-8-14-6-7-16-9)11-12(13(2,3)4)17-18-19-11/h6-8,10,15H,5H2,1-4H3.
What are the key properties of N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine?
N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 277.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 105149972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).