2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol

C19H21N3OS — CID 71855577

IUPAC2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol
SMILESCc1cnc(CN(Cc2ccccc2)CC(O)c2cccs2)cn1
InChIInChI=1S/C19H21N3OS/c1-15-10-21-17(11-20-15)13-22(12-16-6-3-2-4-7-16)14-18(23)19-8-5-9-24-19/h2-11,18,23H,12-14H2,1H3
InChIKeyVZHZINCKBNHBBH-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.58
Rot. Bonds7

About 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol

2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol (PubChem CID 71855577) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol
PubChem CID71855577
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol
SMILESCc1cnc(CN(Cc2ccccc2)CC(O)c2cccs2)cn1
InChIInChI=1S/C19H21N3OS/c1-15-10-21-17(11-20-15)13-22(12-16-6-3-2-4-7-16)14-18(23)19-8-5-9-24-19/h2-11,18,23H,12-14H2,1H3
InChIKeyVZHZINCKBNHBBH-UHFFFAOYSA-N
XLogP3.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol (CID 71855577) is 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol is Cc1cnc(CN(Cc2ccccc2)CC(O)c2cccs2)cn1.
What is the InChIKey of 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol?
The InChIKey is VZHZINCKBNHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-15-10-21-17(11-20-15)13-22(12-16-6-3-2-4-7-16)14-18(23)19-8-5-9-24-19/h2-11,18,23H,12-14H2,1H3.
What are the key properties of 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol?
2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol has a molecular weight of 339.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(5-methylpyrazin-2-yl)methyl]amino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 71855577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).