4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine

C23H20N4S — CID 168616897

IUPAC4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)n1
InChIInChI=1S/C23H20N4S/c1-18-17-28-23(25-18)26-24-16-19-12-14-22(15-13-19)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3,(H,25,26)
InChIKeyUZKIISFDQWQFGR-UHFFFAOYSA-N
MW384.51 g/mol
LogP6.37
Rot. Bonds6

About 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine

4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168616897) has the molecular formula C23H20N4S and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168616897
Molecular FormulaC23H20N4S
Molecular Weight384.51 g/mol
Exact Mass384.14
IUPAC Name4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)n1
InChIInChI=1S/C23H20N4S/c1-18-17-28-23(25-18)26-24-16-19-12-14-22(15-13-19)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3,(H,25,26)
InChIKeyUZKIISFDQWQFGR-UHFFFAOYSA-N
XLogP6.37
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile
CID 168619054
N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617991
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
N-[[4-(2-chlorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617180
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
N-[[4-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618079
4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617644
2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate
CID 168619107
2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625905
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168616897) is 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)n1.
What is the InChIKey of 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is UZKIISFDQWQFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4S/c1-18-17-28-23(25-18)26-24-16-19-12-14-22(15-13-19)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3,(H,25,26).
What are the key properties of 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 384.51 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168616897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).