N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

C17H18N2S2 — CID 105006723

IUPACN-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(-c2ccccc2)cs1)c1sccc1C
InChIInChI=1S/C17H18N2S2/c1-12-8-9-20-17(12)14(18-2)10-16-19-15(11-21-16)13-6-4-3-5-7-13/h3-9,11,14,18H,10H2,1-2H3
InChIKeyVXEUNSWBAYHMQG-UHFFFAOYSA-N
MW314.48 g/mol
LogP4.68
Rot. Bonds5

About N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105006723) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105006723
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(-c2ccccc2)cs1)c1sccc1C
InChIInChI=1S/C17H18N2S2/c1-12-8-9-20-17(12)14(18-2)10-16-19-15(11-21-16)13-6-4-3-5-7-13/h3-9,11,14,18H,10H2,1-2H3
InChIKeyVXEUNSWBAYHMQG-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006690
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
CID 79825369
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006670
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 105006723) is N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(-c2ccccc2)cs1)c1sccc1C.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is VXEUNSWBAYHMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-12-8-9-20-17(12)14(18-2)10-16-19-15(11-21-16)13-6-4-3-5-7-13/h3-9,11,14,18H,10H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 314.48 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105006723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).