1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine

C14H18N2OS — CID 114033683

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1sc(C)nc1C
InChIInChI=1S/C14H18N2OS/c1-9-14(18-10(2)16-9)13(15-3)11-6-5-7-12(8-11)17-4/h5-8,13,15H,1-4H3
InChIKeyXPYMJFVTCWERNX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.08
Rot. Bonds4

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine

1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 114033683) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID114033683
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1sc(C)nc1C
InChIInChI=1S/C14H18N2OS/c1-9-14(18-10(2)16-9)13(15-3)11-6-5-7-12(8-11)17-4/h5-8,13,15H,1-4H3
InChIKeyXPYMJFVTCWERNX-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 114033747
1-(3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63156049
1-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 102802975
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 65299487
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809
1-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43480785
1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356903
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106680353
1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 79724422

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine (CID 114033683) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC)c1)c1sc(C)nc1C.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is XPYMJFVTCWERNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-14(18-10(2)16-9)13(15-3)11-6-5-7-12(8-11)17-4/h5-8,13,15H,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 114033683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).