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

C12H15N3OS — CID 113370918

IUPAC3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCOc1cccnc1NCCc1nc(C)cs1
InChIInChI=1S/C12H15N3OS/c1-9-8-17-11(15-9)5-7-14-12-10(16-2)4-3-6-13-12/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)
InChIKeyGHLICGQEQDCUFL-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.51
Rot. Bonds5

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

3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 113370918) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
PubChem CID113370918
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCOc1cccnc1NCCc1nc(C)cs1
InChIInChI=1S/C12H15N3OS/c1-9-8-17-11(15-9)5-7-14-12-10(16-2)4-3-6-13-12/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)
InChIKeyGHLICGQEQDCUFL-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-8-amine
CID 82538975
3-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
CID 115868201
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115868240
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62866188
4,6-dimethoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242633
5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975614
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
6-ethoxy-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 66326868
2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110443309
1-(1-methoxypropan-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571790
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (CID 113370918) is 3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is COc1cccnc1NCCc1nc(C)cs1.
What is the InChIKey of 3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is GHLICGQEQDCUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9-8-17-11(15-9)5-7-14-12-10(16-2)4-3-6-13-12/h3-4,6,8H,5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113370918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).