N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine

C12H15N3S — CID 104823163

IUPACN-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(-c2ccc(C)nc2)s1
InChIInChI=1S/C12H15N3S/c1-8-4-5-10(6-14-8)12-15-7-11(16-12)9(2)13-3/h4-7,9,13H,1-3H3
InChIKeyCMJGSHIOHOICEH-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.79
Rot. Bonds3

About N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 104823163) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID104823163
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(-c2ccc(C)nc2)s1
InChIInChI=1S/C12H15N3S/c1-8-4-5-10(6-14-8)12-15-7-11(16-12)9(2)13-3/h4-7,9,13H,1-3H3
InChIKeyCMJGSHIOHOICEH-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole
CID 130390654
N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653566
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 107125231
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653372
1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653754
N-methyl-1-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102490
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62651174
1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 82741103
N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine
CID 63157736
2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
CID 107504782
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine (CID 104823163) is N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(-c2ccc(C)nc2)s1.
What is the InChIKey of N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is CMJGSHIOHOICEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-4-5-10(6-14-8)12-15-7-11(16-12)9(2)13-3/h4-7,9,13H,1-3H3.
What are the key properties of N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 104823163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).