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

C14H19N3OS — CID 82428693

IUPACN-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCc1nc(-c2cccnc2)sc1CNCCOC
InChIInChI=1S/C14H19N3OS/c1-3-12-13(10-16-7-8-18-2)19-14(17-12)11-5-4-6-15-9-11/h4-6,9,16H,3,7-8,10H2,1-2H3
InChIKeyNPIFQZDXKKCDNK-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.50
Rot. Bonds7

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

N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (PubChem CID 82428693) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
PubChem CID82428693
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCc1nc(-c2cccnc2)sc1CNCCOC
InChIInChI=1S/C14H19N3OS/c1-3-12-13(10-16-7-8-18-2)19-14(17-12)11-5-4-6-15-9-11/h4-6,9,16H,3,7-8,10H2,1-2H3
InChIKeyNPIFQZDXKKCDNK-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430015
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
CID 178171856
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
4-ethyl-5-[(2-methoxyethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765858
N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 64717713
2-methyl-N-[[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369758
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 55117456
3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 100648662
N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82438601
N-[[2-(azepan-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62765034
N-[(2-ethyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431279

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (CID 82428693) is N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is CCc1nc(-c2cccnc2)sc1CNCCOC.
What is the InChIKey of N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is NPIFQZDXKKCDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-12-13(10-16-7-8-18-2)19-14(17-12)11-5-4-6-15-9-11/h4-6,9,16H,3,7-8,10H2,1-2H3.
What are the key properties of N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82428693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).