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

C11H13N3O2S — CID 83310077

IUPAC2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
SMILESCOc1cccc(CNc2nnc(C)s2)c1O
InChIInChI=1S/C11H13N3O2S/c1-7-13-14-11(17-7)12-6-8-4-3-5-9(16-2)10(8)15/h3-5,15H,6H2,1-2H3,(H,12,14)
InChIKeyKJERCVQJLWHKLO-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.17
Rot. Bonds4

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

2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol (PubChem CID 83310077) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
PubChem CID83310077
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
SMILESCOc1cccc(CNc2nnc(C)s2)c1O
InChIInChI=1S/C11H13N3O2S/c1-7-13-14-11(17-7)12-6-8-4-3-5-9(16-2)10(8)15/h3-5,15H,6H2,1-2H3,(H,12,14)
InChIKeyKJERCVQJLWHKLO-UHFFFAOYSA-N
XLogP2.17
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol
CID 133448186
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 9149034
methyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoate
CID 107648318
2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
CID 66351207
N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103110802
5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 79002594
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338
2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol
CID 133469932
2-methoxy-6-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 6950881
2-[[(5-bromo-3-methylpyridin-1-ium-2-yl)amino]methyl]-6-methoxyphenol
CID 6920874
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635052

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol (CID 83310077) is 2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol is COc1cccc(CNc2nnc(C)s2)c1O.
What is the InChIKey of 2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol?
The InChIKey is KJERCVQJLWHKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-13-14-11(17-7)12-6-8-4-3-5-9(16-2)10(8)15/h3-5,15H,6H2,1-2H3,(H,12,14).
What are the key properties of 2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol?
2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol has a molecular weight of 251.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol is sourced from PubChem (CID 83310077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).