1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine

C15H20N2S — CID 103629573

IUPAC1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCc1ccc(CNCc2csc(CC)n2)cc1
InChIInChI=1S/C15H20N2S/c1-3-12-5-7-13(8-6-12)9-16-10-14-11-18-15(4-2)17-14/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyCUIDHMNEQLBJAN-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine

1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 103629573) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID103629573
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCc1ccc(CNCc2csc(CC)n2)cc1
InChIInChI=1S/C15H20N2S/c1-3-12-5-7-13(8-6-12)9-16-10-14-11-18-15(4-2)17-14/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyCUIDHMNEQLBJAN-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 55021494
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 62524203
[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol
CID 110906009
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 82738200
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226330
N',N'-diethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 60727171
3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 60727503
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 115592463
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine (CID 103629573) is 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine is CCc1ccc(CNCc2csc(CC)n2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is CUIDHMNEQLBJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-12-5-7-13(8-6-12)9-16-10-14-11-18-15(4-2)17-14/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 103629573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).