2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol

C17H15N3O2S — CID 135830157

IUPAC2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2nnc(-c3cccc(C)c3)s2)c1O
InChIInChI=1S/C17H15N3O2S/c1-11-5-3-6-12(9-11)16-19-20-17(23-16)18-10-13-7-4-8-14(22-2)15(13)21/h3-10,21H,1-2H3/b18-10+
InChIKeySBFMJWYINUNDRF-VCHYOVAHSA-N
MW325.39 g/mol
LogP3.98
Rot. Bonds4

About 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol

2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol (PubChem CID 135830157) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol
PubChem CID135830157
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2nnc(-c3cccc(C)c3)s2)c1O
InChIInChI=1S/C17H15N3O2S/c1-11-5-3-6-12(9-11)16-19-20-17(23-16)18-10-13-7-4-8-14(22-2)15(13)21/h3-10,21H,1-2H3/b18-10+
InChIKeySBFMJWYINUNDRF-VCHYOVAHSA-N
XLogP3.98
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-methoxyphenol
CID 135675794
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
2-methoxy-6-[(Z)-[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 135643526
[2-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenyl] 2-methylprop-2-enoate
CID 177450648
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine
CID 54590014
1-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 136816674
(E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine
CID 177385490
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
manganese(2+);2-methanehydrazonoyl-6-methoxyphenol;dichloride
CID 162116939
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol (CID 135830157) is 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol is COc1cccc(/C=N/c2nnc(-c3cccc(C)c3)s2)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol?
The InChIKey is SBFMJWYINUNDRF-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-5-3-6-12(9-11)16-19-20-17(23-16)18-10-13-7-4-8-14(22-2)15(13)21/h3-10,21H,1-2H3/b18-10+.
What are the key properties of 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol?
2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol has a molecular weight of 325.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135830157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).