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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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).