N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine

C22H20N2O2S2 — CID 23740492

IUPACN-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(Cn2c(-c3cccs3)cs/c2=N\c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20N2O2S2/c1-25-18-9-5-16(6-10-18)14-24-20(21-4-3-13-27-21)15-28-22(24)23-17-7-11-19(26-2)12-8-17/h3-13,15H,14H2,1-2H3/b23-22-
InChIKeyQMQAXAKWJPOCFB-FCQUAONHSA-N
MW408.55 g/mol
LogP5.58
Rot. Bonds6

About N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23740492) has the molecular formula C22H20N2O2S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23740492
Molecular FormulaC22H20N2O2S2
Molecular Weight408.55 g/mol
Exact Mass408.10
IUPAC NameN-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(Cn2c(-c3cccs3)cs/c2=N\c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20N2O2S2/c1-25-18-9-5-16(6-10-18)14-24-20(21-4-3-13-27-21)15-28-22(24)23-17-7-11-19(26-2)12-8-17/h3-13,15H,14H2,1-2H3/b23-22-
InChIKeyQMQAXAKWJPOCFB-FCQUAONHSA-N
XLogP5.58
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine;hydrobromide
CID 56726121
3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 163332770
3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23735643
4-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23737102
N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23911708
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23883340
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 8715499
3-butyl-N-(4-fluorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23762274
[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol
CID 66709516
N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23875611
3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23764740

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23740492) is N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine is COc1ccc(Cn2c(-c3cccs3)cs/c2=N\c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is QMQAXAKWJPOCFB-FCQUAONHSA-N. The full InChI is InChI=1S/C22H20N2O2S2/c1-25-18-9-5-16(6-10-18)14-24-20(21-4-3-13-27-21)15-28-22(24)23-17-7-11-19(26-2)12-8-17/h3-13,15H,14H2,1-2H3/b23-22-.
What are the key properties of N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 408.55 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23740492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).