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

C16H22N2S — CID 62798637

IUPACN-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(Cc1csc(C)n1)Cc1ccccc1C
InChIInChI=1S/C16H22N2S/c1-4-17-15(10-16-11-19-13(3)18-16)9-14-8-6-5-7-12(14)2/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyKASQLLKUOSISTI-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.52
Rot. Bonds6

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

N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 62798637) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID62798637
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(Cc1csc(C)n1)Cc1ccccc1C
InChIInChI=1S/C16H22N2S/c1-4-17-15(10-16-11-19-13(3)18-16)9-14-8-6-5-7-12(14)2/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyKASQLLKUOSISTI-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

1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82806184
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798822
1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798644
1-(3,4-difluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82922517
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66070436
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62798826
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799171
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 62798637) is N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CCNC(Cc1csc(C)n1)Cc1ccccc1C.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is KASQLLKUOSISTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-17-15(10-16-11-19-13(3)18-16)9-14-8-6-5-7-12(14)2/h5-8,11,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-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-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 62798637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).