N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine

C16H22N4OS — CID 75423166

IUPACN-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1cnc(CN(Cc2nc(C)cs2)CC2CCCO2)cn1
InChIInChI=1S/C16H22N4OS/c1-12-6-18-14(7-17-12)8-20(9-15-4-3-5-21-15)10-16-19-13(2)11-22-16/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyXHKUOWDLPWDLQQ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.73
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 75423166) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID75423166
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1cnc(CN(Cc2nc(C)cs2)CC2CCCO2)cn1
InChIInChI=1S/C16H22N4OS/c1-12-6-18-14(7-17-12)8-20(9-15-4-3-5-21-15)10-16-19-13(2)11-22-16/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyXHKUOWDLPWDLQQ-UHFFFAOYSA-N
XLogP2.73
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(4-methyl-1,3-thiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166265207
N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 171139925
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62430173
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 51084081
3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95782280
1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 94177798
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 124751200
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95898891
N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 51964063
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592
[1-(4-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198617

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 75423166) is N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine is Cc1cnc(CN(Cc2nc(C)cs2)CC2CCCO2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XHKUOWDLPWDLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-6-18-14(7-17-12)8-20(9-15-4-3-5-21-15)10-16-19-13(2)11-22-16/h6-7,11,15H,3-5,8-10H2,1-2H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 318.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 75423166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).