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

C18H16N4O3S — CID 90486874

IUPAC4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2)cc1
InChIInChI=1S/C18H16N4O3S/c1-12(14-4-3-5-15(10-14)22(23)24)20-21-18-19-17(11-26-18)13-6-8-16(25-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+
InChIKeyDCQFDXXHQLXGAL-UDWIEESQSA-N
MW368.42 g/mol
LogP4.56
Rot. Bonds6

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

4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 90486874) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID90486874
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2)cc1
InChIInChI=1S/C18H16N4O3S/c1-12(14-4-3-5-15(10-14)22(23)24)20-21-18-19-17(11-26-18)13-6-8-16(25-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+
InChIKeyDCQFDXXHQLXGAL-UDWIEESQSA-N
XLogP4.56
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine hydrobromide
CID 16681989
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
2-(2-Cyclopentylidenehydrazinyl)-4-(4-methoxyphenyl)thiazole
CID 25193423
4-Methoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10430530
5-benzyl-4-(4-methoxyphenyl)-N-[(4-nitrophenyl)methyl]thiazol-2-amine
CID 72706880
4-nitro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1204416
4-(4-Butoxy-3-nitrophenyl)-1,3-thiazol-2-amine
CID 2901393

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine (CID 90486874) is 4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is DCQFDXXHQLXGAL-UDWIEESQSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-12(14-4-3-5-15(10-14)22(23)24)20-21-18-19-17(11-26-18)13-6-8-16(25-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+.
What are the key properties of 4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 368.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 90486874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).