3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

C11H13N3OS — CID 115868240

IUPAC3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCOc1cccnc1NCc1csc(C)n1
InChIInChI=1S/C11H13N3OS/c1-8-14-9(7-16-8)6-13-11-10(15-2)4-3-5-12-11/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyICLATHOWLCWAKF-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.47
Rot. Bonds4

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

3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (PubChem CID 115868240) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
PubChem CID115868240
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCOc1cccnc1NCc1csc(C)n1
InChIInChI=1S/C11H13N3OS/c1-8-14-9(7-16-8)6-13-11-10(15-2)4-3-5-12-11/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyICLATHOWLCWAKF-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
3-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
CID 115868201
7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
CID 106537936
2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54865790
3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 113370918
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile
CID 62672892
4,6-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 62859987
N-[(4-bromophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547909
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (CID 115868240) is 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is COc1cccnc1NCc1csc(C)n1.
What is the InChIKey of 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is ICLATHOWLCWAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-14-9(7-16-8)6-13-11-10(15-2)4-3-5-12-11/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115868240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).