(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine

C18H17N3OS — CID 54590014

IUPAC(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2nnc(-c3cc(C)cc(C)c3)s2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-8-13(2)10-15(9-12)17-20-21-18(23-17)19-11-14-4-6-16(22-3)7-5-14/h4-11H,1-3H3/b19-11+
InChIKeyLMZNFDUYKZJXHB-YBFXNURJSA-N
MW323.42 g/mol
LogP4.58
Rot. Bonds4

About (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine

(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine (PubChem CID 54590014) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine
PubChem CID54590014
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2nnc(-c3cc(C)cc(C)c3)s2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-8-13(2)10-15(9-12)17-20-21-18(23-17)19-11-14-4-6-16(22-3)7-5-14/h4-11H,1-3H3/b19-11+
InChIKeyLMZNFDUYKZJXHB-YBFXNURJSA-N
XLogP4.58
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 12690429
(E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine
CID 45258110
6-hydroxy-5-[(E)-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 135572072
2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol
CID 135830157
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)methanimine
CID 23768279
(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 139069698
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
CID 682583
N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(4-methoxyphenyl)methanimine
CID 126050200
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
1-(4-ethoxyphenyl)-6-hydroxy-5-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrimidine-2,4-dione
CID 137070403
(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
CID 10846258

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine?
The IUPAC name of (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine (CID 54590014) is (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/c2nnc(-c3cc(C)cc(C)c3)s2)cc1.
What is the InChIKey of (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine?
The InChIKey is LMZNFDUYKZJXHB-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-8-13(2)10-15(9-12)17-20-21-18(23-17)19-11-14-4-6-16(22-3)7-5-14/h4-11H,1-3H3/b19-11+.
What are the key properties of (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine?
(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine has a molecular weight of 323.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 54590014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).