(E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine

C15H13N3O2S — CID 139221902

IUPAC(E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine
SMILESCc1cccc(OCc2nnc(/N=C/c3ccco3)s2)c1
InChIInChI=1S/C15H13N3O2S/c1-11-4-2-5-12(8-11)20-10-14-17-18-15(21-14)16-9-13-6-3-7-19-13/h2-9H,10H2,1H3/b16-9+
InChIKeyVKVYPDUAVDONFU-CXUHLZMHSA-N
MW299.36 g/mol
LogP3.77
Rot. Bonds5

About (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine

(E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine (PubChem CID 139221902) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine
PubChem CID139221902
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine
SMILESCc1cccc(OCc2nnc(/N=C/c3ccco3)s2)c1
InChIInChI=1S/C15H13N3O2S/c1-11-4-2-5-12(8-11)20-10-14-17-18-15(21-14)16-9-13-6-3-7-19-13/h2-9H,10H2,1H3/b16-9+
InChIKeyVKVYPDUAVDONFU-CXUHLZMHSA-N
XLogP3.77
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 112519497
methyl N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 2201221
(E)-1-(furan-2-yl)-N-[5-(phenothiazin-10-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine
CID 10691808
1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine
CID 11206226
N-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332334
N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 92872093
N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 858231
4-methyl-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 858227
2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole
CID 164653697
N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 2246608
3-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3152064
2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole
CID 63383570

Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine (CID 139221902) is (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine is Cc1cccc(OCc2nnc(/N=C/c3ccco3)s2)c1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine?
The InChIKey is VKVYPDUAVDONFU-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-11-4-2-5-12(8-11)20-10-14-17-18-15(21-14)16-9-13-6-3-7-19-13/h2-9H,10H2,1H3/b16-9+.
What are the key properties of (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine?
(E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine has a molecular weight of 299.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine is sourced from PubChem (CID 139221902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).