N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C25H19N3OS — CID 3345194

IUPACN-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=Cc3c4ccccc4cc4ccccc34)n2)cc1
InChIInChI=1S/C25H19N3OS/c1-29-20-12-10-17(11-13-20)24-16-30-25(27-24)28-26-15-23-21-8-4-2-6-18(21)14-19-7-3-5-9-22(19)23/h2-16H,1H3,(H,27,28)
InChIKeyGXWXEBVEARXKDF-UHFFFAOYSA-N
MW409.51 g/mol
LogP6.57
Rot. Bonds5

About N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 3345194) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID3345194
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC NameN-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=Cc3c4ccccc4cc4ccccc34)n2)cc1
InChIInChI=1S/C25H19N3OS/c1-29-20-12-10-17(11-13-20)24-16-30-25(27-24)28-26-15-23-21-8-4-2-6-18(21)14-19-7-3-5-9-22(19)23/h2-16H,1H3,(H,27,28)
InChIKeyGXWXEBVEARXKDF-UHFFFAOYSA-N
XLogP6.57
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.57
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533887
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110530024
1-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135607363
N-[(6-bromo-2,3-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576749

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 3345194) is N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NN=Cc3c4ccccc4cc4ccccc34)n2)cc1.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is GXWXEBVEARXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS/c1-29-20-12-10-17(11-13-20)24-16-30-25(27-24)28-26-15-23-21-8-4-2-6-18(21)14-19-7-3-5-9-22(19)23/h2-16H,1H3,(H,27,28).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 409.51 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3345194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).