2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine

C15H21N3S — CID 79786314

IUPAC2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(CN(C)C)nc1-c1ccccc1
InChIInChI=1S/C15H21N3S/c1-16-10-9-13-15(12-7-5-4-6-8-12)17-14(19-13)11-18(2)3/h4-8,16H,9-11H2,1-3H3
InChIKeyLMVDYOTVIDSVPQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.63
Rot. Bonds6

About 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine

2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 79786314) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID79786314
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(CN(C)C)nc1-c1ccccc1
InChIInChI=1S/C15H21N3S/c1-16-10-9-13-15(12-7-5-4-6-8-12)17-14(19-13)11-18(2)3/h4-8,16H,9-11H2,1-3H3
InChIKeyLMVDYOTVIDSVPQ-UHFFFAOYSA-N
XLogP2.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79782807
N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786398
2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79782622
2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782920
2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79786485
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031
2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116730659
N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine
CID 79782932
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465
N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782811
N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
CID 62764673
N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine
CID 62769032

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 79786314) is 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1sc(CN(C)C)nc1-c1ccccc1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is LMVDYOTVIDSVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-16-10-9-13-15(12-7-5-4-6-8-12)17-14(19-13)11-18(2)3/h4-8,16H,9-11H2,1-3H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 275.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 79786314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).