1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine

C17H20N4OS — CID 75427787

IUPAC1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cscn2)cc1Cn1cccn1
InChIInChI=1S/C17H20N4OS/c1-13(18-9-16-11-23-12-19-16)14-4-5-17(22-2)15(8-14)10-21-7-3-6-20-21/h3-8,11-13,18H,9-10H2,1-2H3
InChIKeyJNQGTXLDLHGSFQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.25
Rot. Bonds7

About 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine

1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 75427787) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID75427787
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cscn2)cc1Cn1cccn1
InChIInChI=1S/C17H20N4OS/c1-13(18-9-16-11-23-12-19-16)14-4-5-17(22-2)15(8-14)10-21-7-3-6-20-21/h3-8,11-13,18H,9-10H2,1-2H3
InChIKeyJNQGTXLDLHGSFQ-UHFFFAOYSA-N
XLogP3.25
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 71968625
(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
CID 93342575
(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81376055
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63830557
2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850668
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
(1S)-1-(3-chloro-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 95612012
1-(3-bromo-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459542

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 75427787) is 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine is COc1ccc(C(C)NCc2cscn2)cc1Cn1cccn1.
What is the InChIKey of 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is JNQGTXLDLHGSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-13(18-9-16-11-23-12-19-16)14-4-5-17(22-2)15(8-14)10-21-7-3-6-20-21/h3-8,11-13,18H,9-10H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 328.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 75427787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).