4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine

C22H20N4OS2 — CID 14612319

IUPAC4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(\C)c3sc(-c4ccccc4)nc3C)n2)cc1
InChIInChI=1S/C22H20N4OS2/c1-14-20(29-21(23-14)17-7-5-4-6-8-17)15(2)25-26-22-24-19(13-28-22)16-9-11-18(27-3)12-10-16/h4-13H,1-3H3,(H,24,26)/b25-15+
InChIKeyMRQLPPRQNGPFGU-MFKUBSTISA-N
MW420.56 g/mol
LogP6.09
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 14612319) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID14612319
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC Name4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(\C)c3sc(-c4ccccc4)nc3C)n2)cc1
InChIInChI=1S/C22H20N4OS2/c1-14-20(29-21(23-14)17-7-5-4-6-8-17)15(2)25-26-22-24-19(13-28-22)16-9-11-18(27-3)12-10-16/h4-13H,1-3H3,(H,24,26)/b25-15+
InChIKeyMRQLPPRQNGPFGU-MFKUBSTISA-N
XLogP6.09
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine (CID 14612319) is 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C(\C)c3sc(-c4ccccc4)nc3C)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is MRQLPPRQNGPFGU-MFKUBSTISA-N. The full InChI is InChI=1S/C22H20N4OS2/c1-14-20(29-21(23-14)17-7-5-4-6-8-17)15(2)25-26-22-24-19(13-28-22)16-9-11-18(27-3)12-10-16/h4-13H,1-3H3,(H,24,26)/b25-15+.
What are the key properties of 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 420.56 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 14612319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).