N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine

C16H23N3S — CID 84750392

IUPACN-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(c1nc(CN)cs1)c1ccccc1C
InChIInChI=1S/C16H23N3S/c1-4-19(5-2)15(14-9-7-6-8-12(14)3)16-18-13(10-17)11-20-16/h6-9,11,15H,4-5,10,17H2,1-3H3
InChIKeyQPMUCKIFSJSASI-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.34
Rot. Bonds6

About N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine

N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine (PubChem CID 84750392) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine
PubChem CID84750392
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(c1nc(CN)cs1)c1ccccc1C
InChIInChI=1S/C16H23N3S/c1-4-19(5-2)15(14-9-7-6-8-12(14)3)16-18-13(10-17)11-20-16/h6-9,11,15H,4-5,10,17H2,1-3H3
InChIKeyQPMUCKIFSJSASI-UHFFFAOYSA-N
XLogP3.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine (CID 84750392) is N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine is CCN(CC)C(c1nc(CN)cs1)c1ccccc1C.
What is the InChIKey of N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine?
The InChIKey is QPMUCKIFSJSASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-19(5-2)15(14-9-7-6-8-12(14)3)16-18-13(10-17)11-20-16/h6-9,11,15H,4-5,10,17H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine?
N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 84750392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).