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

C18H16FN3O2S — CID 110535315

IUPAC4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3ccc(F)cc3)n2)c(OC)c1
InChIInChI=1S/C18H16FN3O2S/c1-23-14-7-8-15(17(9-14)24-2)16-11-25-18(21-16)22-20-10-12-3-5-13(19)6-4-12/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyWFGSNTHXIOKISR-JMIUGGIZSA-N
MW357.41 g/mol
LogP4.41
Rot. Bonds6

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

4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 110535315) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID110535315
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3ccc(F)cc3)n2)c(OC)c1
InChIInChI=1S/C18H16FN3O2S/c1-23-14-7-8-15(17(9-14)24-2)16-11-25-18(21-16)22-20-10-12-3-5-13(19)6-4-12/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyWFGSNTHXIOKISR-JMIUGGIZSA-N
XLogP4.41
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531775
4-(2-methoxyphenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 8878425
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-dimethylphenyl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine bromide
CID 21203586
4-(2,4-dimethoxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781760
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110530180
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
4-(2,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,3-thiazol-2-amine
CID 4140219
N-[(4-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 2332955
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine (CID 110535315) is 4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C\c3ccc(F)cc3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is WFGSNTHXIOKISR-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-23-14-7-8-15(17(9-14)24-2)16-11-25-18(21-16)22-20-10-12-3-5-13(19)6-4-12/h3-11H,1-2H3,(H,21,22)/b20-10-.
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 357.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 110535315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).