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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Related Compounds

(1-{1-[(3-methyl-2-thienyl)methyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)(phenyl)methanol
CID 45222910
2-[4-(Pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol
CID 71783414
2-[Benzyl(pyridin-4-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71855561
2-[Benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71855576
2-[Benzyl(pyridin-3-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71921494
(3S*,4R*)-4-(3-methyl-2-thienyl)-1-[(1-pyridin-3-yl-1H-pyrrol-2-yl)methyl]piperidin-3-ol
CID 50955400
2-Pyridyl[1-(3-thienylmethyl)-4-piperidyl]methanol
CID 53193318
[1-[(5-Methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 53193320
{1-[(3-Methyl-2-thienyl)methyl]-4-piperidyl}(2-pyridyl)methanol
CID 53193327
2-Pyridyl[1-(2-thienylmethyl)-4-piperidyl]methanol
CID 53193339
2-(4-(Pyridin-3-ylmethyl)piperazin-1-yl)-1-(thiophen-2-yl)ethanol trihydrochloride
CID 73167593
2-{[(5-Methylpyrazin-2-yl)methyl][(3-methyl-2-thienyl)methyl]amino}ethanol
CID 132422291

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).