N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine

C12H15N3S — CID 105098256

IUPACN-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1csc(C)n1
InChIInChI=1S/C12H15N3S/c1-3-14-12(10-5-4-6-13-7-10)11-8-16-9(2)15-11/h4-8,12,14H,3H2,1-2H3
InChIKeyLMGSXLCOFXKOOG-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.55
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine

N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 105098256) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
PubChem CID105098256
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1csc(C)n1
InChIInChI=1S/C12H15N3S/c1-3-14-12(10-5-4-6-13-7-10)11-8-16-9(2)15-11/h4-8,12,14H,3H2,1-2H3
InChIKeyLMGSXLCOFXKOOG-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
N-[(1-methylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 65200804
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 43491878
N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105148600
N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105170940
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105164507
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 107291930

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine (CID 105098256) is N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1csc(C)n1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is LMGSXLCOFXKOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-14-12(10-5-4-6-13-7-10)11-8-16-9(2)15-11/h4-8,12,14H,3H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine?
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 105098256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).