2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C9H16N2O3S2 — CID 82423390

IUPAC2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CS(C)(=O)=O)s1
InChIInChI=1S/C9H16N2O3S2/c1-14-4-3-10-5-8-6-11-9(15-8)7-16(2,12)13/h6,10H,3-5,7H2,1-2H3
InChIKeyNAJSCPAXJZCVNI-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.42
Rot. Bonds7

About 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine

2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82423390) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82423390
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC Name2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CS(C)(=O)=O)s1
InChIInChI=1S/C9H16N2O3S2/c1-14-4-3-10-5-8-6-11-9(15-8)7-16(2,12)13/h6,10H,3-5,7H2,1-2H3
InChIKeyNAJSCPAXJZCVNI-UHFFFAOYSA-N
XLogP0.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82423472
2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755886
N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423466
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
2-methoxy-N-[[2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424996
1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55160312
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61019602
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089
N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62750412
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 60982151
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62751285
5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753080

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 82423390) is 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is COCCNCc1cnc(CS(C)(=O)=O)s1.
What is the InChIKey of 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is NAJSCPAXJZCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-14-4-3-10-5-8-6-11-9(15-8)7-16(2,12)13/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82423390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).