N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine

C20H20N4O6S — CID 110530180

IUPACN-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3cc([N+](=O)[O-])c(OC)cc3OC)n2)c(OC)c1
InChIInChI=1S/C20H20N4O6S/c1-27-13-5-6-14(18(8-13)29-3)15-11-31-20(22-15)23-21-10-12-7-16(24(25)26)19(30-4)9-17(12)28-2/h5-11H,1-4H3,(H,22,23)/b21-10-
InChIKeyGOVKBAUAYYDLJN-FBHDLOMBSA-N
MW444.47 g/mol
LogP4.20
Rot. Bonds9

About N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine

N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 110530180) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID110530180
Molecular FormulaC20H20N4O6S
Molecular Weight444.47 g/mol
Exact Mass444.11
IUPAC NameN-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3cc([N+](=O)[O-])c(OC)cc3OC)n2)c(OC)c1
InChIInChI=1S/C20H20N4O6S/c1-27-13-5-6-14(18(8-13)29-3)15-11-31-20(22-15)23-21-10-12-7-16(24(25)26)19(30-4)9-17(12)28-2/h5-11H,1-4H3,(H,22,23)/b21-10-
InChIKeyGOVKBAUAYYDLJN-FBHDLOMBSA-N
XLogP4.20
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110531573
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531375
4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110535315
N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110530352
4-(4-nitrophenyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110340860
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531775
2-methoxy-4-[(Z)-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 136781721
4-(3,4-dimethoxyphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110531574
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
4-(2,4-dimethoxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781760
4-(2-methoxyphenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 8878425
4-(2-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536567

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 110530180) is N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C\c3cc([N+](=O)[O-])c(OC)cc3OC)n2)c(OC)c1.
What is the InChIKey of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is GOVKBAUAYYDLJN-FBHDLOMBSA-N. The full InChI is InChI=1S/C20H20N4O6S/c1-27-13-5-6-14(18(8-13)29-3)15-11-31-20(22-15)23-21-10-12-7-16(24(25)26)19(30-4)9-17(12)28-2/h5-11H,1-4H3,(H,22,23)/b21-10-.
What are the key properties of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 444.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110530180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).