2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol

C13H17N3O3S — CID 133448186

IUPAC2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol
SMILESCOCCc1nsc(NCc2cccc(OC)c2O)n1
InChIInChI=1S/C13H17N3O3S/c1-18-7-6-11-15-13(20-16-11)14-8-9-4-3-5-10(19-2)12(9)17/h3-5,17H,6-8H2,1-2H3,(H,14,15,16)
InChIKeySZSVCJUBJKGRSG-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.05
Rot. Bonds7

About 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol

2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol (PubChem CID 133448186) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol
PubChem CID133448186
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol
SMILESCOCCc1nsc(NCc2cccc(OC)c2O)n1
InChIInChI=1S/C13H17N3O3S/c1-18-7-6-11-15-13(20-16-11)14-8-9-4-3-5-10(19-2)12(9)17/h3-5,17H,6-8H2,1-2H3,(H,14,15,16)
InChIKeySZSVCJUBJKGRSG-UHFFFAOYSA-N
XLogP2.05
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 83310077
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335287
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 9149034
2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
CID 66351207
2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 155884619
3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133358188
N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine
CID 75446240
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol
CID 133469932
3-(2-methoxyethyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 75515613
2-methoxy-6-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 6950881

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol (CID 133448186) is 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol is COCCc1nsc(NCc2cccc(OC)c2O)n1.
What is the InChIKey of 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol?
The InChIKey is SZSVCJUBJKGRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-18-7-6-11-15-13(20-16-11)14-8-9-4-3-5-10(19-2)12(9)17/h3-5,17H,6-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol?
2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol has a molecular weight of 295.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol is sourced from PubChem (CID 133448186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).