4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine

C19H19N3S — CID 5333462

IUPAC4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(C)cc1
InChIInChI=1S/C19H19N3S/c1-13-4-8-16(9-5-13)15(3)21-22-19-20-18(12-23-19)17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H,20,22)/b21-15+
InChIKeyOEXIBFUOGWBMNU-RCCKNPSSSA-N
MW321.45 g/mol
LogP5.26
Rot. Bonds4

About 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine

4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 5333462) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID5333462
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(C)cc1
InChIInChI=1S/C19H19N3S/c1-13-4-8-16(9-5-13)15(3)21-22-19-20-18(12-23-19)17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H,20,22)/b21-15+
InChIKeyOEXIBFUOGWBMNU-RCCKNPSSSA-N
XLogP5.26
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 23102412
4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484602
4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248
4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 171978845
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
4-(4-chlorophenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 2845173

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine (CID 5333462) is 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(C)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is OEXIBFUOGWBMNU-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H19N3S/c1-13-4-8-16(9-5-13)15(3)21-22-19-20-18(12-23-19)17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H,20,22)/b21-15+.
What are the key properties of 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine?
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 321.45 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 5333462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).