N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine

C16H23N3S — CID 65488457

IUPACN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
SMILESCCNCc1nc(CN(C)CCc2ccccc2)cs1
InChIInChI=1S/C16H23N3S/c1-3-17-11-16-18-15(13-20-16)12-19(2)10-9-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3
InChIKeyORGXKPHEFNYWSC-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.93
Rot. Bonds8

About N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine (PubChem CID 65488457) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
PubChem CID65488457
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
SMILESCCNCc1nc(CN(C)CCc2ccccc2)cs1
InChIInChI=1S/C16H23N3S/c1-3-17-11-16-18-15(13-20-16)12-19(2)10-9-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3
InChIKeyORGXKPHEFNYWSC-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419199
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62412254
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462365
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
N-[[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62426181
1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea
CID 71923156
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413591
N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436536
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
CID 62422802

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine?
The IUPAC name of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine (CID 65488457) is N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine is CCNCc1nc(CN(C)CCc2ccccc2)cs1.
What is the InChIKey of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine?
The InChIKey is ORGXKPHEFNYWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-17-11-16-18-15(13-20-16)12-19(2)10-9-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3.
What are the key properties of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine?
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine has a molecular weight of 289.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 65488457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).