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

C19H20N4OS — CID 5230090

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C19H20N4OS/c1-23(2)16-8-4-14(5-9-16)12-20-22-19-21-18(13-25-19)15-6-10-17(24-3)11-7-15/h4-13H,1-3H3,(H,21,22)
InChIKeyFDVKPSBQABTVHR-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.33
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 5230090) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID5230090
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C19H20N4OS/c1-23(2)16-8-4-14(5-9-16)12-20-22-19-21-18(13-25-19)15-6-10-17(24-3)11-7-15/h4-13H,1-3H3,(H,21,22)
InChIKeyFDVKPSBQABTVHR-UHFFFAOYSA-N
XLogP4.33
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885903
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136073
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 21240106
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
CID 682583
N-[bis[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4086590
N,N-diethyl-4-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 6276601
N-[(4-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 2332955

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 5230090) is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NN=Cc3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is FDVKPSBQABTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-23(2)16-8-4-14(5-9-16)12-20-22-19-21-18(13-25-19)15-6-10-17(24-3)11-7-15/h4-13H,1-3H3,(H,21,22).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 352.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 5230090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).