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

C19H19N3O2S2 — CID 127049240

IUPACN-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline
SMILESC/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C19H19N3O2S2/c1-13-18(25-19(20-13)15-7-5-4-6-8-15)14(2)21-22-16-9-11-17(12-10-16)26(3,23)24/h4-12,22H,1-3H3/b21-14+
InChIKeyWBZJWJHVENOYEW-KGENOOAVSA-N
MW385.51 g/mol
LogP4.36
Rot. Bonds5

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

N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline (PubChem CID 127049240) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline
PubChem CID127049240
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline
SMILESC/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C19H19N3O2S2/c1-13-18(25-19(20-13)15-7-5-4-6-8-15)14(2)21-22-16-9-11-17(12-10-16)26(3,23)24/h4-12,22H,1-3H3/b21-14+
InChIKeyWBZJWJHVENOYEW-KGENOOAVSA-N
XLogP4.36
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
CID 14612310
N-(2-fluoro-5-methylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27677610
N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline
CID 49309458
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
3-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 172677917
4-methylsulfonyl-N-[(E)-1-pyridin-4-ylethylideneamino]aniline
CID 97311336
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
4-N,6-N-bis[1-(4-methylsulfonylphenyl)ethylideneamino]-2-phenylpyrimidine-4,6-diamine
CID 139976484
4-methyl-N-phenyl-2-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 60620632
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 26213278
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 43032000

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline?
The IUPAC name of N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline (CID 127049240) is N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline.
What is the SMILES notation for N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline?
The canonical SMILES for N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline is C/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline?
The InChIKey is WBZJWJHVENOYEW-KGENOOAVSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-13-18(25-19(20-13)15-7-5-4-6-8-15)14(2)21-22-16-9-11-17(12-10-16)26(3,23)24/h4-12,22H,1-3H3/b21-14+.
What are the key properties of N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline?
N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline has a molecular weight of 385.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline is sourced from PubChem (CID 127049240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).