N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

C14H18N2S — CID 103779588

IUPACN-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCCc1ccc(CNC(C)c2cncs2)cc1
InChIInChI=1S/C14H18N2S/c1-3-12-4-6-13(7-5-12)8-16-11(2)14-9-15-10-17-14/h4-7,9-11,16H,3,8H2,1-2H3
InChIKeyCACRIWUXLDNQJR-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.56
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 103779588) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID103779588
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCCc1ccc(CNC(C)c2cncs2)cc1
InChIInChI=1S/C14H18N2S/c1-3-12-4-6-13(7-5-12)8-16-11(2)14-9-15-10-17-14/h4-7,9-11,16H,3,8H2,1-2H3
InChIKeyCACRIWUXLDNQJR-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylthiophen-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115727630
1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706728
N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 114955153
N-[(5-chloro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115906661
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115895637
N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 146137266
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115716558
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115708122
N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115715269

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (CID 103779588) is N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is CCc1ccc(CNC(C)c2cncs2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is CACRIWUXLDNQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-12-4-6-13(7-5-12)8-16-11(2)14-9-15-10-17-14/h4-7,9-11,16H,3,8H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 103779588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).