N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine

C17H25N3S — CID 64716662

IUPACN,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine
SMILESCCN(CC)CCc1nc(CNC)c(-c2ccccc2)s1
InChIInChI=1S/C17H25N3S/c1-4-20(5-2)12-11-16-19-15(13-18-3)17(21-16)14-9-7-6-8-10-14/h6-10,18H,4-5,11-13H2,1-3H3
InChIKeyUKFKBVAAKHFPHK-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.41
Rot. Bonds8

About N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine

N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 64716662) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine
PubChem CID64716662
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine
SMILESCCN(CC)CCc1nc(CNC)c(-c2ccccc2)s1
InChIInChI=1S/C17H25N3S/c1-4-20(5-2)12-11-16-19-15(13-18-3)17(21-16)14-9-7-6-8-10-14/h6-10,18H,4-5,11-13H2,1-3H3
InChIKeyUKFKBVAAKHFPHK-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine (CID 64716662) is N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine is CCN(CC)CCc1nc(CNC)c(-c2ccccc2)s1.
What is the InChIKey of N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is UKFKBVAAKHFPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-20(5-2)12-11-16-19-15(13-18-3)17(21-16)14-9-7-6-8-10-14/h6-10,18H,4-5,11-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine?
N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 303.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 64716662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).