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

C18H18N4S — CID 3295773

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H18N4S/c1-22(2)16-10-8-14(9-11-16)12-19-21-18-20-17(13-23-18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,20,21)
InChIKeyILWHJUUMBODAQK-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.32
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 3295773) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID3295773
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H18N4S/c1-22(2)16-10-8-14(9-11-16)12-19-21-18-20-17(13-23-18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,20,21)
InChIKeyILWHJUUMBODAQK-UHFFFAOYSA-N
XLogP4.32
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885903
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136073
N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 6229470
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 21240106
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
2-[N-(2-acetyloxyethyl)-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate
CID 168578092

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 3295773) is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CN(C)c1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is ILWHJUUMBODAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S/c1-22(2)16-10-8-14(9-11-16)12-19-21-18-20-17(13-23-18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,20,21).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 322.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3295773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).