N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

C16H22N2S — CID 62796365

IUPACN-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)Cc1nc(C)cs1
InChIInChI=1S/C16H22N2S/c1-4-17-15(10-16-18-13(3)11-19-16)9-14-7-5-12(2)6-8-14/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyAHANDEDBCJMLCW-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.52
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 62796365) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID62796365
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)Cc1nc(C)cs1
InChIInChI=1S/C16H22N2S/c1-4-17-15(10-16-18-13(3)11-19-16)9-14-7-5-12(2)6-8-14/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyAHANDEDBCJMLCW-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
N-ethyl-5,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 62794826
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 104801872
N-ethyl-1-(1-methylimidazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 79752465
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796034
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796544
N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019512
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
1-(4-chlorophenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823693
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 62796365) is N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is CCNC(Cc1ccc(C)cc1)Cc1nc(C)cs1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is AHANDEDBCJMLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-17-15(10-16-18-13(3)11-19-16)9-14-7-5-12(2)6-8-14/h5-8,11,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 62796365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).