(E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine

C18H14N4O2S — CID 45258110

IUPAC(E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine
SMILESCOc1ccc(/C=N/c2nnc3c4cc(OC)ccc4nc-3s2)cc1
InChIInChI=1S/C18H14N4O2S/c1-23-12-5-3-11(4-6-12)10-19-18-22-21-16-14-9-13(24-2)7-8-15(14)20-17(16)25-18/h3-10H,1-2H3/b19-10+
InChIKeyOJVVKYDCKLKAIL-VXLYETTFSA-N
MW350.40 g/mol
LogP3.96
Rot. Bonds4

About (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine

(E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine (PubChem CID 45258110) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine
PubChem CID45258110
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name(E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine
SMILESCOc1ccc(/C=N/c2nnc3c4cc(OC)ccc4nc-3s2)cc1
InChIInChI=1S/C18H14N4O2S/c1-23-12-5-3-11(4-6-12)10-19-18-22-21-16-14-9-13(24-2)7-8-15(14)20-17(16)25-18/h3-10H,1-2H3/b19-10+
InChIKeyOJVVKYDCKLKAIL-VXLYETTFSA-N
XLogP3.96
TPSA69.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine
CID 54590014
N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(4-methoxyphenyl)methanimine
CID 126050200
N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-phenylmethanimine
CID 126053450
4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol
CID 137170332
(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 12690429
4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135670479
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
3-[[5-[(E)-(3-methoxyphenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]methylamino]-2-methylquinazolin-4-one
CID 10916524
9-methoxy-5-methylindolo[2,3-b]quinoxaline
CID 3983680
(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
CID 10846258
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine (CID 45258110) is (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine is COc1ccc(/C=N/c2nnc3c4cc(OC)ccc4nc-3s2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine?
The InChIKey is OJVVKYDCKLKAIL-VXLYETTFSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-23-12-5-3-11(4-6-12)10-19-18-22-21-16-14-9-13(24-2)7-8-15(14)20-17(16)25-18/h3-10H,1-2H3/b19-10+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine?
(E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine has a molecular weight of 350.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-N-(8-methoxy-[1,3,4]thiadiazino[6,5-b]indol-3-yl)methanimine is sourced from PubChem (CID 45258110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).