1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine

C14H22N4OS — CID 86814715

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOC(C)c1nc(CNC(C)c2cnn(C)c2C)cs1
InChIInChI=1S/C14H22N4OS/c1-9(13-7-16-18(4)10(13)2)15-6-12-8-20-14(17-12)11(3)19-5/h7-9,11,15H,6H2,1-5H3
InChIKeyAPQKSRLXYYLSHP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.74
Rot. Bonds6

About 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 86814715) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID86814715
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCOC(C)c1nc(CNC(C)c2cnn(C)c2C)cs1
InChIInChI=1S/C14H22N4OS/c1-9(13-7-16-18(4)10(13)2)15-6-12-8-20-14(17-12)11(3)19-5/h7-9,11,15H,6H2,1-5H3
InChIKeyAPQKSRLXYYLSHP-UHFFFAOYSA-N
XLogP2.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 86814715) is 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine is COC(C)c1nc(CNC(C)c2cnn(C)c2C)cs1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is APQKSRLXYYLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(13-7-16-18(4)10(13)2)15-6-12-8-20-14(17-12)11(3)19-5/h7-9,11,15H,6H2,1-5H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 294.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 86814715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).