N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine

C18H19N3S — CID 71864791

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
SMILESCc1csc(CNC(C)c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C18H19N3S/c1-13-12-22-18(21-13)11-20-14(2)15-5-7-16(8-6-15)17-4-3-9-19-10-17/h3-10,12,14,20H,11H2,1-2H3
InChIKeyQUXSLBWCSHYIIS-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.36
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine (PubChem CID 71864791) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
PubChem CID71864791
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
SMILESCc1csc(CNC(C)c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C18H19N3S/c1-13-12-22-18(21-13)11-20-14(2)15-5-7-16(8-6-15)17-4-3-9-19-10-17/h3-10,12,14,20H,11H2,1-2H3
InChIKeyQUXSLBWCSHYIIS-UHFFFAOYSA-N
XLogP4.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 75443598
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 97334733
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113260063
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
CID 97334731
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]benzonitrile
CID 54913077

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine (CID 71864791) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine is Cc1csc(CNC(C)c2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine?
The InChIKey is QUXSLBWCSHYIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13-12-22-18(21-13)11-20-14(2)15-5-7-16(8-6-15)17-4-3-9-19-10-17/h3-10,12,14,20H,11H2,1-2H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine has a molecular weight of 309.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine is sourced from PubChem (CID 71864791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).