N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine

C13H17N3S — CID 62551593

IUPACN-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(Cc2ccncc2)nc1C
InChIInChI=1S/C13H17N3S/c1-9(14-3)13-10(2)16-12(17-13)8-11-4-6-15-7-5-11/h4-7,9,14H,8H2,1-3H3
InChIKeyBDYHQVGEMXLWJR-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62551593) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62551593
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(Cc2ccncc2)nc1C
InChIInChI=1S/C13H17N3S/c1-9(14-3)13-10(2)16-12(17-13)8-11-4-6-15-7-5-11/h4-7,9,14H,8H2,1-3H3
InChIKeyBDYHQVGEMXLWJR-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289018
1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287793
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62693429
N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62753060
1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 55118656
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62331691
1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 115346935
N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114364727
1-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287596
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
(3R)-N-[(1S)-1-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
CID 97065377

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 62551593) is N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(Cc2ccncc2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is BDYHQVGEMXLWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(14-3)13-10(2)16-12(17-13)8-11-4-6-15-7-5-11/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62551593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).